2-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[1-[2-methanoyl-3-(4-methylpiperidin-2-yl)-2-piperazin-2-yl-pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[1-[2-methanoyl-3-(4-methylpiperidin-2-yl)-2-piperazin-2-yl-pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-N-[1-benzyl-2-[2-formyl-3-(4-methyl-2-piperidyl)-2-piperazin-2-yl-pyrrolidin-1-yl]-2-oxo-ethyl]-3-methyl-pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-[1-[2-formyl-3-(4-methyl-2-piperidinyl)-2-(2-piperazinyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-N-[1-[2-formyl-3-(4-methylpiperidin-2-yl)-2-piperazin-2-ylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide Traditional Name: N-[1-benzyl-2-[2-formyl-3-(4-methyl-2-piperidyl)-2-piperazin-2-yl-pyrrolidino]-2-keto-ethyl]-3-methyl-2-(phenylalanylamino)valeramide Formula: C39H57N7O4 MolecularWeight: 687.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(C2(C=O)C3CNCCN3)C4CC(CCN4)C)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(C2(C=O)C3CNCCN3)C4CC(CCN4)C)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C39H57N7O4/c1-4-27(3)35(45-36(48)31(40)22-28-11-7-5-8-12-28)37(49)44-33(23-29-13-9-6-10-14-29)38(50)46-20-16-30(32-21-26(2)15-17-42-32)39(46,25-47)34-24-41-18-19-43-34/h5-14,25-27,30-35,41-43H,4,15-24,40H2,1-3H3,(H,44,49)(H,45,48)