4-[[4-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-5-[[1-[[2-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-azanyl-2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-5-[[1-[[2-[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-amino-2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-oxo-butanoyl]amino]-5-[[1-[[2-[2-[(1-carboxy-4-guanidino-butyl)carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[4-amino-2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-[[1-[[2-[2-[[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[4-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoyl]amino]-5-[[1-[[2-[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[4-amino-2-[[2-amino-4-(methylthio)butanoyl]amino]-4-keto-butanoyl]amino]-5-[[1-[[2-[2-[(1-carboxy-4-guanidino-butyl)carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C33H57N11O11S MolecularWeight: 815.93778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)N

InChI

InChI=1S/C33H57N11O11S/c1-17(2)14-21(28(50)39-16-25(46)44-12-5-7-23(44)31(53)41-20(32(54)55)6-4-11-38-33(36)37)43-29(51)19(8-9-26(47)48)40-30(52)22(15-24(35)45)42-27(49)18(34)10-13-56-3/h17-23H,4-16,34H2,1-3H3,(H2,35,45)(H,39,50)(H,40,52)(H,41,53)(H,42,49)(H,43,51)(H,47,48)(H,54,55)(H4,36,37,38)