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4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-azanyl-4-azanylidene-butoxy)-10,13-dimethyl-17-[5-[methyl-(phenylmethyl)amino]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanimidamide

4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-azanyl-4-azanylidene-butoxy)-10,13-dimethyl-17-[5-[methyl-(phenylmethyl)amino]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanimidamide

Systemtic Name:4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-azanyl-4-azanylidene-butoxy)-10,13-dimethyl-17-[5-[methyl-(phenylmethyl)amino]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanimidamide
Openeye Name:4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-amino-4-imino-butoxy)-17-[4-[benzyl(methyl)amino]-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanamidine
CAS Name:4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-amino-4-iminobutoxy)-10,13-dimethyl-17-[5-[methyl-(phenylmethyl)amino]pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanimidamide
IUPAC Name:4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-amino-4-iminobutoxy)-17-[5-[benzyl(methyl)amino]pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanimidamide
Traditional Name:4-[[(3R,7R,9S,10S,12S,13R,14S,17R)-7,12-bis(4-amino-4-imino-butoxy)-17-[4-[benzyl(methyl)amino]-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butyramidine
Formula: C44H75N7O3
MolecularWeight: 750.1114
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(C)CC1=CC=CC=C1)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)OCCCC(=N)N)C)OCCCC(=N)N)OCCCC(=N)N)C


Isomeric SMILES

CC(CCCN(C)CC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4C3[C@@H](CC5[C@@]4(CC[C@H](C5)OCCCC(=N)N)C)OCCCC(=N)N)OCCCC(=N)N)C


InChI

InChI=1S/C44H75N7O3/c1-30(12-8-22-51(4)29-31-13-6-5-7-14-31)34-18-19-35-42-36(28-38(44(34,35)3)54-25-11-17-41(49)50)43(2)21-20-33(52-23-9-15-39(45)46)26-32(43)27-37(42)53-24-10-16-40(47)48/h5-7,13-14,30,32-38,42H,8-12,15-29H2,1-4H3,(H3,45,46)(H3,47,48)(H3,49,50)/t30?,32?,33-,34-,35+,36+,37-,38+,42?,43+,44-/m1/s1


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