4-[[1-[[1-[[1-[[4-azanyl-1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[[1-[[1-[[4-azanyl-1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[[1-[[2-[[3-amino-1-[[2-[(1-carboxy-2-hydroxy-propyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[[1-[[1-[[4-amino-1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[[1-[[1-[[4-amino-1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[[1-[[2-[[3-amino-1-[[2-[(1-carboxy-2-hydroxy-propyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-keto-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-[[2-amino-4-(methylthio)butanoyl]amino]-4-keto-butyric acid Formula: C42H63N11O14S MolecularWeight: 978.07992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CN=CN2)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CN=CN2)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N

InChI

InChI=1S/C42H63N11O14S/c1-19(2)32(52-41(65)33(20(3)4)51-39(63)29(16-31(57)58)47-35(59)25(43)11-12-68-6)40(64)50-26(13-22-7-9-24(55)10-8-22)36(60)49-28(15-30(44)56)37(61)48-27(14-23-17-45-18-46-23)38(62)53-34(21(5)54)42(66)67/h7-10,17-21,25-29,32-34,54-55H,11-16,43H2,1-6H3,(H2,44,56)(H,45,46)(H,47,59)(H,48,61)(H,49,60)(H,50,64)(H,51,63)(H,52,65)(H,53,62)(H,57,58)(H,66,67)