2-[(3S)-3-[[(2S)-6-azanyl-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-azanyl-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-amino-1-ethoxycarbonyl-pentyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-6-amino-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-amino-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-amino-1-carbethoxy-pentyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCCCN)N[C@H]1CCC2=CC=CC=C2N(C1=O)CC(=O)O

InChI

InChI=1S/C20H29N3O5/c1-2-28-20(27)16(8-5-6-12-21)22-15-11-10-14-7-3-4-9-17(14)23(19(15)26)13-18(24)25/h3-4,7,9,15-16,22H,2,5-6,8,10-13,21H2,1H3,(H,24,25)/t15-,16-/m0/s1