(2S)-2-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylcarbamoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylcarbamoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]carbamoylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]amino]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]carbamoylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carbonyl]carbamoylamino]-3-hydroxy-propionic acid Formula: C18H14ClN3O7S MolecularWeight: 451.83766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)NC(=O)NC(CO)C(=O)O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)NC(=O)N[C@@H](CO)C(=O)O)O

InChI

InChI=1S/C18H14ClN3O7S/c19-8-3-4-11-9(6-8)13(14(24)12-2-1-5-30-12)15(25)22(11)18(29)21-17(28)20-10(7-23)16(26)27/h1-6,10,23,25H,7H2,(H,26,27)(H2,20,21,28,29)/t10-/m0/s1