(2S,3S)-4-(aminocarbonyloxymethyl)-2,6-bis(azanyl)-7-methyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonic acid

Systemtic Name: (2S,3S)-4-(aminocarbonyloxymethyl)-2,6-bis(azanyl)-7-methyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonic acid Openeye Name: (2S,3S)-2,6-diamino-4-(carbamoyloxymethyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonic acid CAS Name: (2S,3S)-2,6-diamino-4-(carbamoyloxymethyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonic acid IUPAC Name: (2S,3S)-2,6-diamino-4-(carbamoyloxymethyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-sulfonic acid Traditional Name: (2S,3S)-2,6-diamino-4-(carbamoyloxymethyl)-5,8-diketo-7-methyl-2,3-dihydro-1H-pyrrol[1,2-a]indole-3-sulfonic acid Formula: C14H16N4O7S MolecularWeight: 384.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)S(=O)(=O)O)N)N

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N3C[C@@H]([C@@H](C3=C2COC(=O)N)S(=O)(=O)O)N)N

InChI

InChI=1S/C14H16N4O7S/c1-4-8(16)12(20)7-5(3-25-14(17)21)9-13(26(22,23)24)6(15)2-18(9)10(7)11(4)19/h6,13H,2-3,15-16H2,1H3,(H2,17,21)(H,22,23,24)/t6-,13-/m0/s1