[4-[(2S)-3-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanylidene-propyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[(2S)-3-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-oxidanylidene-propyl]phenyl] hydrogen sulfate Openeye Name: [4-[(2S)-3-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-oxo-propyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(2S)-3-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2S)-3-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-oxopropyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(2S)-3-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-keto-propyl]phenyl] ester Formula: C26H31N7O9S MolecularWeight: 617.63084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)NC(=O)CNC(=O)C(CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C26H31N7O9S/c27-18(11-22(28)34)25(37)33-21(9-14-5-7-16(8-6-14)42-43(39,40)41)26(38)31-13-23(35)32-20(24(29)36)10-15-12-30-19-4-2-1-3-17(15)19/h1-8,12,18,20-21,30H,9-11,13,27H2,(H2,28,34)(H2,29,36)(H,31,38)(H,32,35)(H,33,37)(H,39,40,41)/t18-,20-,21-/m0/s1