2-[(3S)-3-[[(2S)-6-benzamido-1-ethoxy-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[[(2S)-6-benzamido-1-ethoxy-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(1S)-5-benzamido-1-ethoxycarbonyl-pentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-6-benzamido-1-ethoxy-1-oxohexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2S)-6-benzamido-1-ethoxy-1-oxohexan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[[(1S)-5-benzamido-1-carbethoxy-pentyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNC(=O)C1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCCCNC(=O)C1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O

InChI

InChI=1S/C27H33N3O6/c1-2-36-27(35)22(13-8-9-17-28-25(33)20-11-4-3-5-12-20)29-21-16-15-19-10-6-7-14-23(19)30(26(21)34)18-24(31)32/h3-7,10-12,14,21-22,29H,2,8-9,13,15-18H2,1H3,(H,28,33)(H,31,32)/t21-,22-/m0/s1