(2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-piperidin-1-ium-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-piperidin-1-ium-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[oxo(4-piperidin-1-iumyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-(piperidin-1-ium-4-carbonyl)-1-(2-thenoyl)piperazine-2-carboxamide Formula: C27H33N6O4S+ MolecularWeight: 537.65372

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)N2CCN(C(C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=CC=CS5

Isomeric SMILES

C1C[NH2+]CCC1C(=O)N2CCN([C@H](C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H32N6O4S/c28-24(34)21(14-18-15-30-20-5-2-1-4-19(18)20)31-25(35)22-16-32(26(36)17-7-9-29-10-8-17)11-12-33(22)27(37)23-6-3-13-38-23/h1-6,13,15,17,21-22,29-30H,7-12,14,16H2,(H2,28,34)(H,31,35)/p+1/t21-,22-/m1/s1