4-oxidanylidene-4-[phenethyl-[(2S)-3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[phenethyl-[(2S)-3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]amino]butanoic acid Openeye Name: 4-[[(1S)-1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[phenethyl-[(2S)-3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[phenethyl-[(2S)-3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]butanoic acid Traditional Name: 4-[[(1S)-1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]-phenethyl-amino]-4-keto-butyric acid Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=S)C(CC2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=S)[C@H](CC2=CC=CC=C2)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C30H34N2O3S/c33-28(18-19-29(34)35)32(22-20-25-13-6-2-7-14-25)27(23-26-15-8-3-9-16-26)30(36)31-21-10-17-24-11-4-1-5-12-24/h1-9,11-16,27H,10,17-23H2,(H,31,36)(H,34,35)/t27-/m0/s1