2-[4,7-bis[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl]-5,6-bis(oxidanyl)-1H-indol-3-yl]ethylazanium

Systemtic Name: 2-[4,7-bis[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl]-5,6-bis(oxidanyl)-1H-indol-3-yl]ethylazanium Openeye Name: 2-[4,7-bis[[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl]-5,6-dihydroxy-1H-indol-3-yl]ethylammonium CAS Name: 2-[4,7-bis[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-5,6-dihydroxy-1H-indol-3-yl]ethylammonium IUPAC Name: 2-[4,7-bis[[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl]-5,6-dihydroxy-1H-indol-3-yl]ethylazanium Traditional Name: 2-[4,7-bis[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]thio]-5,6-dihydroxy-1H-indol-3-yl]ethylammonium Formula: C30H43N8O14S2+ MolecularWeight: 803.83762

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1)C(=C(C(=C2SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC[NH3+]

Isomeric SMILES

C1=C(C2=C(N1)C(=C(C(=C2SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC[NH3+]

InChI

InChI=1S/C30H42N8O14S2/c31-6-5-12-7-34-22-21(12)25(53-10-15(27(47)35-8-19(41)42)37-17(39)3-1-13(32)29(49)50)23(45)24(46)26(22)54-11-16(28(48)36-9-20(43)44)38-18(40)4-2-14(33)30(51)52/h7,13-16,34,45-46H,1-6,8-11,31-33H2,(H,35,47)(H,36,48)(H,37,39)(H,38,40)(H,41,42)(H,43,44)(H,49,50)(H,51,52)/p+1