methyl (2S)-2-[[(2S)-4-oxidanylidene-4-(4-oxidanylidene-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(pyridin-3-ylcarbonylamino)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-oxidanylidene-4-(4-oxidanylidene-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(pyridin-3-ylcarbonylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-4-oxo-4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(pyridine-3-carbonylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-1,4-dioxo-4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-2-[[oxo(3-pyridinyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-4-oxo-4-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(pyridine-3-carbonylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-4-keto-4-(4-keto-3,6,7,11b-tetrahydro-1H-pyrazin[2,1-a]isoquinolin-2-yl)-2-nicotinamido-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C32H33N5O6 MolecularWeight: 583.63432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2)NC(=O)C5=CN=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H33N5O6/c1-43-32(42)26(16-21-8-3-2-4-9-21)35-31(41)25(34-30(40)23-11-7-14-33-18-23)17-28(38)36-19-27-24-12-6-5-10-22(24)13-15-37(27)29(39)20-36/h2-12,14,18,25-27H,13,15-17,19-20H2,1H3,(H,34,40)(H,35,41)/t25-,26-,27?/m0/s1