2-[(2S)-4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylamino]pentyl]sulfanylethanoic acid

Systemtic Name: 2-[(2S)-4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylamino]pentyl]sulfanylethanoic acid Openeye Name: 2-[(2S)-2-[(1-benzyloxycarbonylpyrrolidin-2-yl)methylamino]-4-methyl-pentyl]sulfanylacetic acid CAS Name: 2-[[(2S)-4-methyl-2-[(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methylamino]pentyl]thio]acetic acid IUPAC Name: 2-[(2S)-4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylamino]pentyl]sulfanylacetic acid Traditional Name: 2-[[(2S)-2-[(1-carbobenzoxypyrrolidin-2-yl)methylamino]-4-methyl-pentyl]thio]acetic acid Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC(=O)O)NCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CSCC(=O)O)NCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O4S/c1-16(2)11-18(14-28-15-20(24)25)22-12-19-9-6-10-23(19)21(26)27-13-17-7-4-3-5-8-17/h3-5,7-8,16,18-19,22H,6,9-15H2,1-2H3,(H,24,25)/t18-,19?/m0/s1