[(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]ethanoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-azanylpropanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]ethanoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-azanylpropanoate Openeye Name: [(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]-1-oxoethoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [(8R,9S,13S,14S,17S)-3-[2-[2-chloroethyl(chloromethyl)amino]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C26H36Cl2N2O4 MolecularWeight: 511.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CN(CCCl)CCl)C)N

Isomeric SMILES

CC(C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CN(CCCl)CCl)C)N

InChI

InChI=1S/C26H36Cl2N2O4/c1-16(29)25(32)34-23-8-7-22-21-5-3-17-13-18(33-24(31)14-30(15-28)12-11-27)4-6-19(17)20(21)9-10-26(22,23)2/h4,6,13,16,20-23H,3,5,7-12,14-15,29H2,1-2H3/t16?,20-,21-,22+,23+,26+/m1/s1