4-[[4-azanyl-2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[1-[[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-azanyl-2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[1-[[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-amino-2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-5-[[1-[[1-[[2-[(1-carboxy-4-guanidino-butyl)amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[4-amino-2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-[[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[4-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-[[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[4-amino-2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-5-[[1-[[1-[[2-[(1-carboxy-4-guanidino-butyl)amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C41H73N13O14 MolecularWeight: 972.09702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)N

InChI

InChI=1S/C41H73N13O14/c1-18(2)14-25(36(63)53-30(19(3)4)37(64)47-16-28(57)48-24(40(67)68)10-9-13-46-41(44)45)50-34(61)23(11-12-29(58)59)49-35(62)26(15-27(43)56)51-38(65)31(20(5)6)54-39(66)32(21(7)8)52-33(60)22(42)17-55/h18-26,30-32,55H,9-17,42H2,1-8H3,(H2,43,56)(H,47,64)(H,48,57)(H,49,62)(H,50,61)(H,51,65)(H,52,60)(H,53,63)(H,54,66)(H,58,59)(H,67,68)(H4,44,45,46)