2-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]ethanoic acid Openeye Name: 2-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]acetic acid CAS Name: 2-[[[3-[[[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]methoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methoxycarbonylamino]acetic acid Traditional Name: 2-[[3-[[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzyl]oxycarbonylamino]acetic acid Formula: C27H25N5O6 MolecularWeight: 515.5173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)COC(=O)NCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)COC(=O)NCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O6/c1-32-21-13-6-5-12-20(21)23(18-9-3-2-4-10-18)30-24(25(32)35)31-26(36)29-19-11-7-8-17(14-19)16-38-27(37)28-15-22(33)34/h2-14,24H,15-16H2,1H3,(H,28,37)(H,33,34)(H2,29,31,36)/t24-/m0/s1