4-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[2-(2-naphthyl)ethylamino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-[2-(2-naphthalenyl)ethylamino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[2-(2-naphthyl)ethylamino]ethyl]amino]-4-keto-butyric acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)CCC(=O)O

InChI

InChI=1S/C27H27N3O4/c31-25(11-12-26(32)33)30-24(16-21-17-29-23-8-4-3-7-22(21)23)27(34)28-14-13-18-9-10-19-5-1-2-6-20(19)15-18/h1-10,15,17,24,29H,11-14,16H2,(H,28,34)(H,30,31)(H,32,33)/t24-/m0/s1