Amino Acids

Cas#: 619-05-6        Compound CID:  69263

Formula:  (H₂N)₂C₆H₃CO₂H        Molecular Weight: 152.15

IUPAC Name: 3,4-diaminobenzoic acid

SMILES: C1=CC(=C(C=C1C(=O)O)N)N

InChIKey: HEMGYNNCNNODNX-UHFFFAOYSA-N

InChI: InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11)

Cas#: 57282-49-2        Compound CID:  104152

Formula:  C₈H₁₈N₂O₄        Molecular Weight: 206.24

IUPAC Name: acetic acid;(2S)-2,6-diaminohexanoic acid

SMILES: CC(=O)O.C(CCN)CC(C(=O)O)N

InChIKey: RRNJROHIFSLGRA-JEDNCBNOSA-N

InChI: InChI=1S/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1

Cas#: 97745-69-2        Compound CID:  11385959

Formula:  C₂₁H₃₈N₄O₈        Molecular Weight: 474.56

IUPAC Name: (2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

SMILES: CC(C)(C)OC(=O)NC(CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

InChIKey: BGOFOVHACSQSIE-ZDUSSCGKSA-N

InChI: InChI=1S/C21H38N4O8/c1-19(2,3)31-16(28)23-13(14(26)27)11-10-12-22-15(24-17(29)32-20(4,5)6)25-18(30)33-21(7,8)9/h13H,10-12H2,1-9H3,(H,23,28)(H,26,27)(H2,22,24,25,29,30)/t13-/m0/s1

Cas#: 2480-28-6        Compound CID:  73046

Formula:  C₇H₁₆N₄O₂        Molecular Weight: 188.23

IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid

SMILES: CNC(CCCN=C(N)N)C(=O)O

InChIKey: NTWVQPHTOUKMDI-YFKPBYRVSA-N

InChI: InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1

Cas#: 70671-54-4        Compound CID:  7017997

Formula:  C₁₄H₂₀N₂O₄        Molecular Weight: 280.32

IUPAC Name: (2R)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid

SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)O

InChIKey: OJTJKAUNOLVMDX-GFCCVEGCSA-N

InChI: InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m1/s1

Cas#: 1246302-99-7        Compound CID:  118816026

Formula:  C₂₁H₃₈NNaO₄        Molecular Weight: 391.5

IUPAC Name: sodium;(2S)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propanoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NC(CO)C(=O)[O-].[Na+]

InChIKey: PJFWBMMXYSJVIF-PUXKSNPUSA-M

InChI: InChI=1S/C21H39NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26;/h9-10,19,23H,2-8,11-18H2,1H3,(H,22,24)(H,25,26);/q;+1/p-1/b10-9-;/t19-;/m0./s1

Cas#: 10329-75-6        Compound CID:  82546

Formula:  C₁₈H₃₅N₃O₄        Molecular Weight: 357.49

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N

InChIKey: DNDWZFHLZVYOGF-KKUMJFAQSA-N

InChI: InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/t13-,14-,15-/m0/s1

Cas#: 1187-50-4        Compound CID:  70910

Formula:  C₁₀H₁₉N₃O₄        Molecular Weight: 245.28

IUPAC Name: 2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]acetic acid

SMILES: CC(C)CC(C(=O)NCC(=O)NCC(=O)O)N

InChIKey: VWHGTYCRDRBSFI-ZETCQYMHSA-N

InChI: InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1

Cas#: 4313-73-9        Compound CID:  7272330

Formula:  C₂₃H₂₈N₂O₅        Molecular Weight: 412.48

IUPAC Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid

SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChIKey: IBOXOGVHBFUSFH-PMACEKPBSA-N

InChI: InChI=1S/C23H28N2O5/c1-16(2)13-20(22(27)28)24-21(26)19(14-17-9-5-3-6-10-17)25-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20-/m0/s1

Cas#: 2212-75-1        Compound CID:  75172

Formula:  C₁₄H₂₀N₂O₄        Molecular Weight: 280.32

IUPAC Name: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid

SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)O

InChIKey: OJTJKAUNOLVMDX-LBPRGKRZSA-N

InChI: InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1

Cas#: 2899-07-2        Compound CID:  6544472

Formula:  C₁₈H₁₉NO₄        Molecular Weight: 313.35

IUPAC Name: (2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid

SMILES: CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2

InChIKey: JDGXKNMKNMSHRJ-INIZCTEOSA-N

InChI: InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)/t16-/m0/s1

Cas#: 19728-63-3        Compound CID:  88217

Formula:  C₁₂H₁₅NO₅        Molecular Weight: 253.25

IUPAC Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid

SMILES: CC(C(C(=O)O)NC(=O)OCC1=CC=CC=C1)O

InChIKey: IPJUIRDNBFZGQN-SCZZXKLOSA-N

InChI: InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1