3-[2-(3-azanyl-2-oxidanylidene-azepan-1-yl)ethanoylamino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[2-(3-azanyl-2-oxidanylidene-azepan-1-yl)ethanoylamino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(3-amino-2-oxo-azepan-1-yl)acetyl]amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[2-(3-amino-2-oxo-1-azepanyl)-1-oxoethyl]amino]-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(3-amino-2-oxoazepan-1-yl)acetyl]amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[2-(3-amino-2-keto-azepan-1-yl)acetyl]amino]-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C26H30ClN5O7 MolecularWeight: 559.9987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)CC(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)N)CC(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)O)Cl

InChI

InChI=1S/C26H30ClN5O7/c27-19-11-16(23(35)30-12-15-4-3-5-17(33)10-15)7-8-18(19)24(36)31-21(26(38)39)13-29-22(34)14-32-9-2-1-6-20(28)25(32)37/h3-5,7-8,10-11,20-21,33H,1-2,6,9,12-14,28H2,(H,29,34)(H,30,35)(H,31,36)(H,38,39)