3-(1H-indol-3-yl)-2-[[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]pentanoyl]-phosphono-amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]pentanoyl]-phosphono-amino]propanoic acid Openeye Name: 2-[[2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-4-methyl-pentanoyl]-phosphono-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]pentyl]-phosphonoamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]pentanoyl]-phosphonoamino]propanoic acid Traditional Name: 2-[[2-[(1-carbobenzoxyprolyl)amino]-4-methyl-pentanoyl]-phosphono-amino]-3-(1H-indol-3-yl)propionic acid Formula: C30H37N4O9P MolecularWeight: 628.609941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)O)P(=O)(O)O)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)O)P(=O)(O)O)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H37N4O9P/c1-19(2)15-24(32-27(35)25-13-8-14-33(25)30(39)43-18-20-9-4-3-5-10-20)28(36)34(44(40,41)42)26(29(37)38)16-21-17-31-23-12-7-6-11-22(21)23/h3-7,9-12,17,19,24-26,31H,8,13-16,18H2,1-2H3,(H,32,35)(H,37,38)(H2,40,41,42)