Peptide analogue

ID: ALA3037881

Chembl Id: CHEMBL3037881

PubChem CID: 16148492

Max Phase: Preclinical

Molecular Formula: C74H102N14O28

Molecular Weight: 1635.70

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(C)=O)[C@H](O)[C@H](C)O1

Standard InChI:  InChI=1S/C74H102N14O28/c1-31(2)21-43(68(107)82-42-24-54(115-34(5)59(42)98)116-50-26-74(113,51(95)30-92)25-39-56(50)63(102)58-57(61(39)100)60(99)38-11-10-13-49(114-7)55(38)62(58)101)84-72(111)47(28-90)88-73(112)48(29-91)87-67(106)41(18-19-52(76)96)81-69(108)44(22-36-14-16-37(94)17-15-36)85-71(110)46(27-89)86-65(104)33(4)79-66(105)40(12-8-9-20-75)80-70(109)45(23-53(77)97)83-64(103)32(3)78-35(6)93/h10-11,13-17,31-34,40-48,50,54,59,89-92,94,98,100,102,113H,8-9,12,18-30,75H2,1-7H3,(H2,76,96)(H2,77,97)(H,78,93)(H,79,105)(H,80,109)(H,81,108)(H,82,107)(H,83,103)(H,84,111)(H,85,110)(H,86,104)(H,87,106)(H,88,112)/t32-,33-,34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,50-,54-,59+,74-/m0/s1

Standard InChI Key:  PLXXWYJWGSRMQH-RSMWXOIRSA-N

Alternative Forms

1. Parent:

   

   ALA3037881

   (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1635.70

Molecular Weight (Monoisotopic): 1634.6988

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References

1. Freidinger RM..  (2003)  Design and synthesis of novel bioactive peptides and peptidomimetics.,  46  (26): [PMID:14667208] [10.1021/jm030484k]

Source

Source(1):

• Scientific Literature