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

Systemtic Name: 4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[[5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-4-methylsulfanyl-butanoyl)amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[(1-carboxy-4-guanidino-butyl)amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[[5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-amino-4-(methylthio)butanoyl]amino]-5-[[1-[[1-[[1-[[1-[[1-[[2-[(1-carboxy-4-guanidino-butyl)amino]-2-keto-ethyl]carbamoyl]-4-hydroxy-4-keto-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-hydroxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C45H78N12O16S2 MolecularWeight: 1107.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H78N12O16S2/c1-7-24(4)36(43(71)55-26(10-13-33(59)60)38(66)50-22-32(58)51-30(44(72)73)9-8-18-49-45(47)48)57-41(69)29(17-20-75-6)54-42(70)31(21-23(2)3)56-40(68)28(12-15-35(63)64)53-39(67)27(11-14-34(61)62)52-37(65)25(46)16-19-74-5/h23-31,36H,7-22,46H2,1-6H3,(H,50,66)(H,51,58)(H,52,65)(H,53,67)(H,54,70)(H,55,71)(H,56,68)(H,57,69)(H,59,60)(H,61,62)(H,63,64)(H,72,73)(H4,47,48,49)