3-[[2-[2-[[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-[[1-[[1-[2-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[2-[[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoyl]amino]-4-[[1-[[1-[2-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[2-[[1-(2-amino-3-methyl-butanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-[[1-[[1-[2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[[1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-[[1-[[1-[2-[[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[1-[[1-[2-[(1,3-dihydroxy-1-oxopropan-2-yl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[1-(2-amino-3-methyl-butanoyl)prolyl]amino]acetyl]amino]-4-(methylthio)butanoyl]amino]-4-[[1-[[1-[2-[(2-hydroxy-2-keto-1-methylol-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C40H67N9O13S MolecularWeight: 914.07748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)CNC(=O)C2CCCN2C(=O)C(C(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)CNC(=O)C2CCCN2C(=O)C(C(C)C)N

InChI

InChI=1S/C40H67N9O13S/c1-20(2)16-25(38(59)48-13-9-11-28(48)36(57)46-26(19-50)40(61)62)45-37(58)32(22(5)6)47-34(55)24(17-30(52)53)44-33(54)23(12-15-63-7)43-29(51)18-42-35(56)27-10-8-14-49(27)39(60)31(41)21(3)4/h20-28,31-32,50H,8-19,41H2,1-7H3,(H,42,56)(H,43,51)(H,44,54)(H,45,58)(H,46,57)(H,47,55)(H,52,53)(H,61,62)