1-(3-azanylpropyl)-1-[4-(3-azanylpropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea

Systemtic Name: 1-(3-azanylpropyl)-1-[4-(3-azanylpropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea Openeye Name: 1-(3-aminopropyl)-1-[4-(3-aminopropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea CAS Name: 1-(3-aminopropyl)-1-[4-(3-aminopropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea IUPAC Name: 1-(3-aminopropyl)-1-[4-(3-aminopropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea Traditional Name: 1-(3-aminopropyl)-1-[4-(3-aminopropylamino)butyl]-3-[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]urea Formula: C38H71N5O MolecularWeight: 614.00324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC(=O)N(CCCCNCCCN)CCCN)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)NC(=O)N(CCCCNCCCN)CCCN)C)C

InChI

InChI=1S/C38H71N5O/c1-28(2)11-8-12-29(3)33-15-16-34-32-14-13-30-27-31(17-19-37(30,4)35(32)18-20-38(33,34)5)42-36(44)43(26-10-22-40)25-7-6-23-41-24-9-21-39/h13,28-29,31-35,41H,6-12,14-27,39-40H2,1-5H3,(H,42,44)/t29-,31+,32+,33-,34+,35+,37+,38-/m1/s1