3-azanyl-4-[[1-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[5-amino-1-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[6-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[6-amino-1-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[5-amino-1-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C26H38N6O7 MolecularWeight: 546.61592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C26H38N6O7/c1-14(2)22(32-23(35)17(28)12-21(33)34)25(37)30-19(9-5-6-10-27)24(36)31-20(26(38)39)11-15-13-29-18-8-4-3-7-16(15)18/h3-4,7-8,13-14,17,19-20,22,29H,5-6,9-12,27-28H2,1-2H3,(H,30,37)(H,31,36)(H,32,35)(H,33,34)(H,38,39)