(2S)-2-[[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]carbonylamino]-3-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-(benzylcarbamoylamino)-2-[[(2S)-1-(2-naphthylsulfonyl)prolyl]amino]propionic acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)NC(CNC(=O)NCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CNC(=O)NCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H28N4O6S/c31-24(29-22(25(32)33)17-28-26(34)27-16-18-7-2-1-3-8-18)23-11-6-14-30(23)37(35,36)21-13-12-19-9-4-5-10-20(19)15-21/h1-5,7-10,12-13,15,22-23H,6,11,14,16-17H2,(H,29,31)(H,32,33)(H2,27,28,34)/t22-,23-/m0/s1