4-[[1-[[1-[[5-azanyl-1-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[[1-[[5-azanyl-1-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[[2-[[4-amino-1-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-3-[2-(2-aminopropanoylamino)propanoylamino]-4-oxo-butanoic acid CAS Name: 4-[[1-[[1-[[5-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[[1-[[5-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-[2-(2-aminopropanoylamino)propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-(alanylamino)propanoylamino]-4-[[1-[[2-[[4-amino-1-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid Formula: C35H51N9O12 MolecularWeight: 789.83254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C35H51N9O12/c1-5-16(2)28(44-32(52)23(13-27(47)48)41-30(50)18(4)39-29(49)17(3)36)34(54)43-25(15-45)33(53)40-22(10-11-26(37)46)31(51)42-24(35(55)56)12-19-14-38-21-9-7-6-8-20(19)21/h6-9,14,16-18,22-25,28,38,45H,5,10-13,15,36H2,1-4H3,(H2,37,46)(H,39,49)(H,40,53)(H,41,50)(H,42,51)(H,43,54)(H,44,52)(H,47,48)(H,55,56)