(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

ID: ALA5206611

Chembl Id: CHEMBL5206611

PubChem CID: 168297399

Max Phase: Preclinical

Molecular Formula: C88H136N24O24

Molecular Weight: 1914.20

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O

Standard InChI:  InChI=1S/C88H136N24O24/c1-46(2)39-60(104-72(120)54(91)40-52-27-29-53(116)30-28-52)79(127)103-58(31-33-67(92)117)75(123)106-63(43-69(94)119)81(129)111-71(49(6)115)85(133)107-62(42-51-21-11-8-12-22-51)80(128)100-56(24-14-16-36-90)77(125)110-70(47(3)4)84(132)109-65(45-114)82(130)101-55(23-13-15-35-89)73(121)99-57(25-17-37-97-88(95)96)74(122)102-59(32-34-68(93)118)76(124)108-64(44-113)83(131)105-61(41-50-19-9-7-10-20-50)78(126)98-48(5)86(134)112-38-18-26-66(112)87(135)136/h7-12,19-22,27-30,46-49,54-66,70-71,113-116H,13-18,23-26,31-45,89-91H2,1-6H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,98,126)(H,99,121)(H,100,128)(H,101,130)(H,102,122)(H,103,127)(H,104,120)(H,105,131)(H,106,123)(H,107,133)(H,108,124)(H,109,132)(H,110,125)(H,111,129)(H,135,136)(H4,95,96,97)/t48-,49+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-/m0/s1

Standard InChI Key:  GDDARXQUSKBKAK-ZFJYVBOXSA-N

Alternative Forms

1. Parent:

   

   ALA5206611

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1914.20

Molecular Weight (Monoisotopic): 1913.0159

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References

1. Sun G, Zhao Y, Yuan L, Lu K..  (2022)  Design, synthesis and properties of peptide inhibitors based on BRCA1^856-871.,  72  [PMID:35716865] [10.1016/j.bmcl.2022.128859]

Source

Source(1):

• Scientific Literature