(2S)-1-[(2S)-5-azanyl-2-(4-thiophen-3-ylbutanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-5-azanyl-2-(4-thiophen-3-ylbutanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-5-amino-2-[4-(3-thienyl)butanoylamino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-5-amino-1-oxo-2-[[1-oxo-4-(3-thiophenyl)butyl]amino]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-5-amino-2-(4-thiophen-3-ylbutanoylamino)pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-5-amino-2-[4-(3-thienyl)butanoylamino]pentanoyl]proline Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCN)NC(=O)CCCC2=CSC=C2)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCN)NC(=O)CCCC2=CSC=C2)C(=O)O

InChI

InChI=1S/C18H27N3O4S/c19-9-2-5-14(17(23)21-10-3-6-15(21)18(24)25)20-16(22)7-1-4-13-8-11-26-12-13/h8,11-12,14-15H,1-7,9-10,19H2,(H,20,22)(H,24,25)/t14-,15-/m0/s1