(2S)-N-[(2S)-7-azanyl-1-oxidanylidene-1-(1,3-thiazol-2-yl)heptan-2-yl]-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-7-azanyl-1-oxidanylidene-1-(1,3-thiazol-2-yl)heptan-2-yl]-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(1S)-6-amino-1-(thiazole-2-carbonyl)hexyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(2S)-7-amino-1-oxo-1-(2-thiazolyl)heptan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-7-amino-1-oxo-1-(1,3-thiazol-2-yl)heptan-2-yl]-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(1S)-6-amino-1-(thiazole-2-carbonyl)hexyl]pyrrolidine-2-carboxamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCCCCN)C(=O)C3=NC=CS3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCCCCN)C(=O)C3=NC=CS3

InChI

InChI=1S/C24H33N5O3S/c25-12-6-2-5-10-19(21(30)23-27-13-15-33-23)28-22(31)20-11-7-14-29(20)24(32)18(26)16-17-8-3-1-4-9-17/h1,3-4,8-9,13,15,18-20H,2,5-7,10-12,14,16,25-26H2,(H,28,31)/t18-,19+,20+/m1/s1