4-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]hexanoyl]amino]-5-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-5-[(1-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]hexanoyl]amino]-5-[(1-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]hexanoyl]amino]-5-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-5-keto-valeric acid Formula: C37H62N14O15 MolecularWeight: 942.97298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)N

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)N

InChI

InChI=1S/C37H62N14O15/c1-18(36(65)66)45-30(59)23(7-9-27(54)55)48-31(60)21(5-2-3-11-38)46-33(62)24(8-10-28(56)57)49-32(61)22(6-4-12-43-37(40)41)47-34(63)26(16-53)51-35(64)25(15-52)50-29(58)20(39)13-19-14-42-17-44-19/h14,17-18,20-26,52-53H,2-13,15-16,38-39H2,1H3,(H,42,44)(H,45,59)(H,46,62)(H,47,63)(H,48,60)(H,49,61)(H,50,58)(H,51,64)(H,54,55)(H,56,57)(H,65,66)(H4,40,41,43)