tert-butyl N-[(E)-3-methyl-5-[1-methyl-5-(5-phenylpentanoyl)pyrrol-2-yl]-1-phosphonato-pent-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E)-3-methyl-5-[1-methyl-5-(5-phenylpentanoyl)pyrrol-2-yl]-1-phosphonato-pent-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E)-1-methyl-1-[2-[1-methyl-5-(5-phenylpentanoyl)pyrrol-2-yl]ethyl]-3-phosphonato-allyl]carbamate CAS Name: N-[(E)-3-methyl-5-[1-methyl-5-(1-oxo-5-phenylpentyl)-2-pyrrolyl]-1-phosphonatopent-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-3-methyl-5-[1-methyl-5-(5-phenylpentanoyl)pyrrol-2-yl]-1-phosphonatopent-1-en-3-yl]carbamate Traditional Name: N-[(E)-1-methyl-1-[2-[1-methyl-5-(5-phenylpentanoyl)pyrrol-2-yl]ethyl]-3-phosphonato-allyl]carbamic acid tert-butyl ester Formula: C27H37N2O6P-2 MolecularWeight: 516.566241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CCC1=CC=C(N1C)C(=O)CCCCC2=CC=CC=C2)C=CP(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(CCC1=CC=C(N1C)C(=O)CCCCC2=CC=CC=C2)/C=C/P(=O)([O-])[O-]

InChI

InChI=1S/C27H39N2O6P/c1-26(2,3)35-25(31)28-27(4,19-20-36(32,33)34)18-17-22-15-16-23(29(22)5)24(30)14-10-9-13-21-11-7-6-8-12-21/h6-8,11-12,15-16,19-20H,9-10,13-14,17-18H2,1-5H3,(H,28,31)(H2,32,33,34)/p-2/b20-19+