(2S)-3-(1-methanoylindol-3-yl)-2-[4-(phenylmethylsulfanyl)butylamino]propanoic acid

Systemtic Name: (2S)-3-(1-methanoylindol-3-yl)-2-[4-(phenylmethylsulfanyl)butylamino]propanoic acid Openeye Name: (2S)-2-(4-benzylsulfanylbutylamino)-3-(1-formylindol-3-yl)propanoic acid CAS Name: (2S)-3-(1-formyl-3-indolyl)-2-[4-(phenylmethylthio)butylamino]propanoic acid IUPAC Name: (2S)-2-(4-benzylsulfanylbutylamino)-3-(1-formylindol-3-yl)propanoic acid Traditional Name: (2S)-2-[4-(benzylthio)butylamino]-3-(1-formylindol-3-yl)propionic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCCCNC(CC2=CN(C3=CC=CC=C32)C=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCCCN[C@@H](CC2=CN(C3=CC=CC=C32)C=O)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c26-17-25-15-19(20-10-4-5-11-22(20)25)14-21(23(27)28)24-12-6-7-13-29-16-18-8-2-1-3-9-18/h1-5,8-11,15,17,21,24H,6-7,12-14,16H2,(H,27,28)/t21-/m0/s1