(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-(ethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(4-phenylmethoxyphenyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-(ethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-3-(4-phenylmethoxyphenyl)-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-3-(4-benzyloxyphenyl)-N-[(1R)-2-(ethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-[(2R)-1-(ethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-phenylmethoxyphenyl)-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-benzyl-N-[(2R)-1-(ethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-benzoxyphenyl)-N-benzyl-N-[(1R)-2-(ethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]propionamide Formula: C42H45N7O4 MolecularWeight: 711.8512

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)C(CC6=CN=CN6)N

Isomeric SMILES

CCNC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)C(=O)[C@H](CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C42H45N7O4/c1-2-45-41(51)39(22-32-24-46-37-16-10-9-15-35(32)37)49(26-30-11-5-3-6-12-30)42(52)38(48-40(50)36(43)23-33-25-44-28-47-33)21-29-17-19-34(20-18-29)53-27-31-13-7-4-8-14-31/h3-20,24-25,28,36,38-39,46H,2,21-23,26-27,43H2,1H3,(H,44,47)(H,45,51)(H,48,50)/t36-,38-,39+/m0/s1