(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxy-propanoyl]-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxy-propanoyl]-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanamide Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-benzyloxy-propanoyl]-benzyl-amino]-3-(1H-indol-3-yl)propanamide CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxo-3-phenylmethoxypropyl]-(phenylmethyl)amino]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylmethoxypropanoyl]-benzylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-benzoxy-propanoyl]-benzyl-amino]-3-(1H-indol-3-yl)propionamide Formula: C34H37N7O4 MolecularWeight: 607.70208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C(COCC4=CC=CC=C4)NC(=O)C(CC5=CN=CN5)N

Isomeric SMILES

C1=CC=C(C=C1)CN([C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)[C@H](COCC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C34H37N7O4/c35-28(16-26-18-37-22-39-26)33(43)40-30(21-45-20-24-11-5-2-6-12-24)34(44)41(19-23-9-3-1-4-10-23)31(32(36)42)15-25-17-38-29-14-8-7-13-27(25)29/h1-14,17-18,22,28,30-31,38H,15-16,19-21,35H2,(H2,36,42)(H,37,39)(H,40,43)/t28-,30-,31+/m0/s1