(2S,3S)-2-[[(2R)-2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2R)-2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2R)-2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2R)-2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2R)-2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2R)-2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-valeric acid Formula: C22H30N4O6 MolecularWeight: 446.4968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C22H30N4O6/c1-3-12(2)19(22(31)32)26-20(28)17(25-18(27)9-8-15(23)21(29)30)10-13-11-24-16-7-5-4-6-14(13)16/h4-7,11-12,15,17,19,24H,3,8-10,23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t12-,15?,17+,19-/m0/s1