3-[[2-azanyl-3-(4-nitrophenyl)propanoyl]amino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-azanyl-3-(4-nitrophenyl)propanoyl]amino]-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid CAS Name: 3-[[2-amino-3-(4-nitrophenyl)-1-oxopropyl]amino]-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[2-amino-3-(4-nitrophenyl)propanoyl]amino]-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid Formula: C27H26ClN5O8 MolecularWeight: 583.97704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])N)C(=O)O)Cl

InChI

InChI=1S/C27H26ClN5O8/c28-21-12-17(24(35)30-13-16-2-1-3-19(34)10-16)6-9-20(21)25(36)32-23(27(38)39)14-31-26(37)22(29)11-15-4-7-18(8-5-15)33(40)41/h1-10,12,22-23,34H,11,13-14,29H2,(H,30,35)(H,31,37)(H,32,36)(H,38,39)