3-azanyl-4-[[1-[[1-[[5-azanyl-1-[[1-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-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]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[1-[[5-azanyl-1-[[1-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-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]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-[[4-amino-1-[[2-[[2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[[5-amino-1-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-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]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[[5-amino-1-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-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]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[2-[[4-amino-1-[[2-[[2-(carboxymethylamino)-2-keto-1-methyl-ethyl]amino]-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: C34H49N9O12 MolecularWeight: 775.80596

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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)NC(C)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)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)NC(C)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C34H49N9O12/c1-4-16(2)28(43-30(51)20(35)12-26(46)47)34(55)42-24(15-44)33(54)40-22(9-10-25(36)45)31(52)41-23(11-18-13-37-21-8-6-5-7-19(18)21)32(53)39-17(3)29(50)38-14-27(48)49/h5-8,13,16-17,20,22-24,28,37,44H,4,9-12,14-15,35H2,1-3H3,(H2,36,45)(H,38,50)(H,39,53)(H,40,54)(H,41,52)(H,42,55)(H,43,51)(H,46,47)(H,48,49)