4-azanyl-5-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-[[3-(1H-indol-3-yl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C27H40N6O7 MolecularWeight: 560.6425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N6O7/c1-15(2)23(27(39)40)33-26(38)21(13-16-14-30-19-8-4-3-7-17(16)19)32-25(37)20(9-5-6-12-28)31-24(36)18(29)10-11-22(34)35/h3-4,7-8,14-15,18,20-21,23,30H,5-6,9-13,28-29H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,35)(H,39,40)