(Z)-2-[(5-bromanyl-1-methyl-indol-2-yl)carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

Systemtic Name: (Z)-2-[(5-bromanyl-1-methyl-indol-2-yl)carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid Openeye Name: (Z)-2-[(5-bromo-1-methyl-indole-2-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid CAS Name: (Z)-2-[[(5-bromo-1-methyl-2-indolyl)-oxomethyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid IUPAC Name: (Z)-2-[(5-bromo-1-methylindole-2-carbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid Traditional Name: (Z)-2-[(5-bromo-1-methyl-indole-2-carbonyl)amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid Formula: C19H20BrN3O4 MolecularWeight: 434.2838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C=C1C(=O)NC(=CCCC3CCNC3=O)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C=C1C(=O)N/C(=C\CC[C@H]3CCNC3=O)/C(=O)O

InChI

InChI=1S/C19H20BrN3O4/c1-23-15-6-5-13(20)9-12(15)10-16(23)18(25)22-14(19(26)27)4-2-3-11-7-8-21-17(11)24/h4-6,9-11H,2-3,7-8H2,1H3,(H,21,24)(H,22,25)(H,26,27)/b14-4-/t11-/m0/s1