N-[1-[[1-[(4R)-4-[[2-[[1-[[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide

Systemtic Name: N-[1-[[1-[(4R)-4-[[2-[[1-[[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanediamide Openeye Name: N-[2-[[2-[(4R)-4-[[2-[[2-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-5,5-dimethyl-thiazolidin-3-yl]-1-methyl-2-oxo-ethyl]amino]-1-(3H-indol-3-ylmethyl)-2-oxo-ethyl]-2-[(2,4-diamino-4-oxo-butanoyl)amino]pentanediamide CAS Name: N-[1-[[1-[(4R)-4-[[[2-[[1-[[1-[[1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-5,5-dimethyl-3-thiazolidinyl]-1-oxopropan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxopropan-2-yl]-2-[(2,4-diamino-1,4-dioxobutyl)amino]pentanediamide IUPAC Name: N-[1-[[1-[(4R)-4-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]amino]-3-(3H-indol-3-yl)-1-oxopropan-2-yl]-2-[(2,4-diamino-4-oxobutanoyl)amino]pentanediamide Traditional Name: N-[2-[[2-[(4R)-4-[[2-[[2-[[1-[[1-carbamoyl-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-5,5-dimethyl-thiazolidin-3-yl]-2-keto-1-methyl-ethyl]amino]-1-(3H-indol-3-ylmethyl)-2-keto-ethyl]-2-[(2,4-diamino-4-keto-butanoyl)amino]glutaramide Formula: C48H71N15O11S2 MolecularWeight: 1098.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2C(SCN2C(=O)C(C)NC(=O)C(CC3C=NC4=CC=CC=C34)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)[C@@H]2C(SCN2C(=O)C(C)NC(=O)C(CC3C=NC4=CC=CC=C34)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N)(C)C

InChI

InChI=1S/C48H71N15O11S2/c1-24(2)15-33(44(71)59-31(40(52)67)13-14-75-6)61-45(72)35(17-27-20-53-22-56-27)58-38(66)21-55-46(73)39-48(4,5)76-23-63(39)47(74)25(3)57-43(70)34(16-26-19-54-30-10-8-7-9-28(26)30)62-42(69)32(11-12-36(50)64)60-41(68)29(49)18-37(51)65/h7-10,19-20,22,24-26,29,31-35,39H,11-18,21,23,49H2,1-6H3,(H2,50,64)(H2,51,65)(H2,52,67)(H,53,56)(H,55,73)(H,57,70)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)/t25?,26?,29?,31?,32?,33?,34?,35?,39-/m1/s1