(2S)-1-[(2S)-2-azanyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-[[(2R)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-[[(2R)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoyl]-N-[(1S)-2-[[(1R)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxopropyl]-N-[(2S)-1-[[(2R)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-3,5-dimethylphenyl)propanoyl]-N-[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoyl]-N-[(1S)-2-[[(1R)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C40H44N6O5 MolecularWeight: 688.81456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)N2CCCC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC6=CC=CC=C6C=C5)C(=O)N)N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC6=CC=CC=C6C=C5)C(=O)N)N

InChI

InChI=1S/C40H44N6O5/c1-23-16-26(17-24(2)36(23)47)19-31(41)40(51)46-15-7-12-35(46)39(50)45-34(21-29-22-43-32-11-6-5-10-30(29)32)38(49)44-33(37(42)48)20-25-13-14-27-8-3-4-9-28(27)18-25/h3-6,8-11,13-14,16-18,22,31,33-35,43,47H,7,12,15,19-21,41H2,1-2H3,(H2,42,48)(H,44,49)(H,45,50)/t31-,33+,34-,35-/m0/s1