(2S,3R)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-valerate Formula: C20H25N4O4- MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H26N4O4/c1-3-13(2)17(19(26)27)22-20(28)24-10-8-23(9-11-24)18(25)15-12-21-16-7-5-4-6-14(15)16/h4-7,12-13,17,21H,3,8-11H2,1-2H3,(H,22,28)(H,26,27)/p-1/t13-,17+/m1/s1