(E,2R,5S)-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoic acid

Systemtic Name: (E,2R,5S)-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hex-3-enoic acid Openeye Name: (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-(2-naphthylsulfanyl)hex-3-enoic acid CAS Name: (E,2R,5S)-6-(2-naphthalenylthio)-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)-3-hexenoic acid IUPAC Name: (E,2R,5S)-2-benzyl-6-naphthalen-2-ylsulfanyl-5-(phenylmethoxycarbonylamino)hex-3-enoic acid Traditional Name: (E,2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-(2-naphthylthio)hex-3-enoic acid Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CC(CSC2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](/C=C/[C@@H](CSC2=CC3=CC=CC=C3C=C2)NC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H29NO4S/c33-30(34)27(19-23-9-3-1-4-10-23)15-17-28(32-31(35)36-21-24-11-5-2-6-12-24)22-37-29-18-16-25-13-7-8-14-26(25)20-29/h1-18,20,27-28H,19,21-22H2,(H,32,35)(H,33,34)/b17-15+/t27-,28-/m0/s1