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

Systemtic Name: 3-[2-[[2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[[2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[[1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-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-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C32H45N11O9 MolecularWeight: 727.768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C32H45N11O9/c33-20(13-19-15-36-17-39-19)30(50)43-11-5-9-24(43)29(49)41-21(8-4-10-37-32(34)35)27(47)38-16-25(44)40-22(14-26(45)46)28(48)42-23(31(51)52)12-18-6-2-1-3-7-18/h1-3,6-7,15,17,20-24H,4-5,8-14,16,33H2,(H,36,39)(H,38,47)(H,40,44)(H,41,49)(H,42,48)(H,45,46)(H,51,52)(H4,34,35,37)