Mitomycin C-Penicillin G

[(4S,6S,7R,8S)-11-amino-5-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Also Known As: Mitomycin C-Penicillin G|Mitomycin-Penicillin G|MITOMYCIN + PENICILLIN G|KST-1A4521|[(1as,8s,8ar,8bs)-6-amino-1-({(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate|{(1aS,8S,8aR,8bS)-6-Amino-1-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl}methyl carbamate|Acetamide,4,7,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a.alpha.-methoxy-5-methyl-4,7-dioxoazirino[2',3':3,4]pyrrolo[1,2-a]indol-1(2H)-yl]carbonyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenyl-, carbamate (ester)

Molecular Formula	C31H34N6O8S
Molecular Weight	650.2159 g/mol
LogP	1.1
Topological Polar Surface Area	220.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	650.2159
Monoisotopic Mass	650.2159
Heavy Atoms	46
Complexity	1540.0

Chemical Identifiers

CAS Number	39471-18-6
SMILES	CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)[C@H]5C(S[C@H]6N5C(=O)[C@H]6NC(=O)CC7=CC=CC=C7)(C)C)N
InChIKey	STDFUALJDZXYNX-DOOQSPMCSA-N