3-[2-[[5-[bis(azanyl)methylideneamino]-2-[[1-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[2-[[5-[bis(azanyl)methylideneamino]-2-[[1-[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-[[2-[[2-[[1-(2,5-diamino-5-oxo-pentanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[[1-(2,5-diamino-1,5-dioxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[5-(diaminomethylideneamino)-2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-[[2-[[2-[[1-(2,5-diamino-5-keto-pentanoyl)prolyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C31H46N10O10 MolecularWeight: 718.75794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCC(=O)N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C31H46N10O10/c32-18(10-11-23(33)42)29(49)41-13-5-9-22(41)28(48)39-19(8-4-12-36-31(34)35)26(46)37-16-24(43)38-20(15-25(44)45)27(47)40-21(30(50)51)14-17-6-2-1-3-7-17/h1-3,6-7,18-22H,4-5,8-16,32H2,(H2,33,42)(H,37,46)(H,38,43)(H,39,48)(H,40,47)(H,44,45)(H,50,51)(H4,34,35,36)