(4S)-1-[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(3-azanylpropyl)-4-phenylmethoxy-pyrrolidine-2-carboxamide

Systemtic Name: (4S)-1-[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(3-azanylpropyl)-4-phenylmethoxy-pyrrolidine-2-carboxamide Openeye Name: (4S)-1-[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(3-aminopropyl)-4-benzyloxy-pyrrolidine-2-carboxamide CAS Name: (4S)-1-[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-N-(3-aminopropyl)-4-phenylmethoxy-2-pyrrolidinecarboxamide IUPAC Name: (4S)-1-[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]-N-(3-aminopropyl)-4-phenylmethoxypyrrolidine-2-carboxamide Traditional Name: (4S)-1-[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenyl-propanoyl]-N-(3-aminopropyl)-4-benzoxy-pyrrolidine-2-carboxamide Formula: C30H39N7O4 MolecularWeight: 561.67516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCCN)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3)N)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](CN(C1C(=O)NCCCN)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CN=CN3)N)OCC4=CC=CC=C4

InChI

InChI=1S/C30H39N7O4/c31-12-7-13-34-29(39)27-16-24(41-19-22-10-5-2-6-11-22)18-37(27)30(40)26(14-21-8-3-1-4-9-21)36-28(38)25(32)15-23-17-33-20-35-23/h1-6,8-11,17,20,24-27H,7,12-16,18-19,31-32H2,(H,33,35)(H,34,39)(H,36,38)/t24-,25-,26+,27?/m0/s1