(3S)-3-[2-[[3-aminocarbonyl-5-[(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]carbonylamino]ethanoylamino]-3-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]propanoic acid

Systemtic Name: (3S)-3-[2-[[3-aminocarbonyl-5-[(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]carbonylamino]ethanoylamino]-3-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]propanoic acid Openeye Name: (3S)-3-[[2-[[3-carbamoyl-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]-3-(3,5-dichloro-2-hydroxy-phenyl)propanoic acid CAS Name: (3S)-3-[[2-[[[3-carbamoyl-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid IUPAC Name: (3S)-3-[[2-[[3-carbamoyl-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]-3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid Traditional Name: (3S)-3-[[2-[[3-carbamoyl-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]-3-(3,5-dichloro-2-hydroxy-phenyl)propionic acid Formula: C23H24Cl2N6O7 MolecularWeight: 567.37866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=C(N1)NC2=CC(=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CC(=CC(=C3O)Cl)Cl)C(=O)N)O

Isomeric SMILES

C1C(CN=C(N1)NC2=CC(=CC(=C2)C(=O)NCC(=O)N[C@@H](CC(=O)O)C3=CC(=CC(=C3O)Cl)Cl)C(=O)N)O

InChI

InChI=1S/C23H24Cl2N6O7/c24-12-4-15(20(36)16(25)5-12)17(6-19(34)35)31-18(33)9-27-22(38)11-1-10(21(26)37)2-13(3-11)30-23-28-7-14(32)8-29-23/h1-5,14,17,32,36H,6-9H2,(H2,26,37)(H,27,38)(H,31,33)(H,34,35)(H2,28,29,30)/t17-/m0/s1