5-azanyl-2-[[4-[2-[(10R,13S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[2-[(10R,13S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[4-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-1,4-dioxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[2-[(10R,13S,17R)-17-hydroxy-3,11-diketo-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethoxy]-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C30H40N2O10 MolecularWeight: 588.646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)COC(=O)CCC(=O)NC(CCC(=O)N)C(=O)O)O)C

Isomeric SMILES

C[C@]12CCC(=O)C=C1CCC3C2C(=O)C[C@]4(C3CC[C@@]4(C(=O)COC(=O)CCC(=O)NC(CCC(=O)N)C(=O)O)O)C

InChI

InChI=1S/C30H40N2O10/c1-28-11-9-17(33)13-16(28)3-4-18-19-10-12-30(41,29(19,2)14-21(34)26(18)28)22(35)15-42-25(38)8-7-24(37)32-20(27(39)40)5-6-23(31)36/h13,18-20,26,41H,3-12,14-15H2,1-2H3,(H2,31,36)(H,32,37)(H,39,40)/t18?,19?,20?,26?,28-,29-,30-/m0/s1