(2S)-3-[6-[(E)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)prop-1-enyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2-(phenoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[6-[(E)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)prop-1-enyl]-4-oxidanylidene-1H-quinazolin-2-yl]-2-(phenoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[6-[(E)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)prop-1-enyl]-4-oxo-1H-quinazolin-2-yl]-2-(phenoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[6-[(E)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)prop-1-enyl]-4-oxo-1H-quinazolin-2-yl]-2-[[oxo(phenoxy)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[6-[(E)-3-(3,4-dihydro-2H-pyrrol-5-ylamino)prop-1-enyl]-4-oxo-1H-quinazolin-2-yl]-2-(phenoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(carbophenoxyamino)-3-[4-keto-6-[(E)-3-(1-pyrrolin-2-ylamino)prop-1-enyl]-1H-quinazolin-2-yl]propionic acid Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NCC=CC2=CC3=C(C=C2)NC(=NC3=O)CC(C(=O)O)NC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC(=NC1)NC/C=C/C2=CC3=C(C=C2)NC(=NC3=O)C[C@@H](C(=O)O)NC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O5/c31-23-18-14-16(6-4-12-26-21-9-5-13-27-21)10-11-19(18)28-22(30-23)15-20(24(32)33)29-25(34)35-17-7-2-1-3-8-17/h1-4,6-8,10-11,14,20H,5,9,12-13,15H2,(H,26,27)(H,29,34)(H,32,33)(H,28,30,31)/b6-4+/t20-/m0/s1