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

Systemtic Name: 4-azanyl-5-[6-azanylhexanoyl-[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[6-aminohexanoyl-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[(6-amino-1-oxohexyl)-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[6-aminohexanoyl-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[6-aminohexanoyl-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N(C(=O)CCCCCN)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N(C(=O)CCCCCN)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C22H30N4O6/c23-11-5-1-2-8-19(27)26(21(30)16(24)9-10-20(28)29)18(22(31)32)12-14-13-25-17-7-4-3-6-15(14)17/h3-4,6-7,13,16,18,25H,1-2,5,8-12,23-24H2,(H,28,29)(H,31,32)