(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-phenyl-propanoyl]amino]glutaric acid Formula: C30H43N7O13 MolecularWeight: 709.70152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O

InChI

InChI=1S/C30H43N7O13/c1-15(38)25(32)29(48)33-14-22(40)34-17(7-10-21(31)39)26(45)35-18(8-11-23(41)42)27(46)37-20(13-16-5-3-2-4-6-16)28(47)36-19(30(49)50)9-12-24(43)44/h2-6,15,17-20,25,38H,7-14,32H2,1H3,(H2,31,39)(H,33,48)(H,34,40)(H,35,45)(H,36,47)(H,37,46)(H,41,42)(H,43,44)(H,49,50)/t15-,17+,18+,19+,20+,25+/m1/s1