Basic information
- CAS
118359-59-4- Standard SMILES
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSCCNC(=O)CC[C@H](N)C(=O)O)C3=O)N1C[C@@H]1N[C@@H]12- InChIKey
BIOSTZMAOGCGSC-CYUGEGSCSA-N- Molecular formula
- C24H34N6O8S2
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 598.18795441
Overview
7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C is a mitomycin.
Names & identifiers
- Preferred name
- N-(2-((2-(((1aS,8S,8aR,8bS)-8-(((Aminocarbonyl)oxy)methyl)-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)amino)ethyl)dithio)ethyl)-L-glutamine
- IUPAC
- (2S)-2-amino-5-[2-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
Names & synonyms
118359-59-4KW 2149KW-2149KT6149KT-6149AK8DKI0KMN7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin CL-Glutamine, N-(2-((2-(((1aS,8S,8aR,8bS)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)amino)ethyl)dithio)ethyl)-L-Glutamine, N-[2-[[2-[[(1aS,8S,8aR,8bS)-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-6-yl]amino]ethyl]dithio]ethyl]-RefChem:926622N-(2-((2-(((1aS,8S,8aR,8bS)-8-(((Aminocarbonyl)oxy)methyl)-1,1a,2,4,7,8,8a,8b-octahydro-8a-methoxy-5-methyl-4,7-dioxoazirino(2',3':3,4)pyrrolo(1,2-a)indol-6-yl)amino)ethyl)dithio)ethyl)-L-glutamine(2S)-2-amino-5-[2-[2-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
Show more names
KT 61497-N-(2-((2-(gamma-glutamylamino)ethyl)dithio)ethyl)mitomycin C7-N-((2-((2-(R-L-Glutamylamino)ethyl)dithio)ethyl))mitomycin CUNII-AK8DKI0KMNE-90/007orb1696739SCHEMBL29396611DTXSID10922668
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,160
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…