(4R)-N-methyl-N-(phenylmethyl)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-amine

Systemtic Name: (4R)-N-methyl-N-(phenylmethyl)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-amine Openeye Name: (4R)-N-benzyl-N-methyl-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-amine CAS Name: (4R)-N-methyl-N-(phenylmethyl)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pentanamine IUPAC Name: (4R)-N-benzyl-N-methyl-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-amine Traditional Name: benzyl-methyl-[(4R)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(2-azidoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amine Formula: C38H60N10O3 MolecularWeight: 704.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN(C)CC1=CC=CC=C1)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)OCCN=[N+]=[N-])C)OCCN=[N+]=[N-])OCCN=[N+]=[N-])C

Isomeric SMILES

C[C@H](CCCN(C)CC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](CC5[C@@]4(CC[C@H](C5)OCCN=[N+]=[N-])C)OCCN=[N+]=[N-])OCCN=[N+]=[N-])C

InChI

InChI=1S/C38H60N10O3/c1-27(9-8-19-48(4)26-28-10-6-5-7-11-28)31-12-13-32-36-33(25-35(38(31,32)3)51-22-18-44-47-41)37(2)15-14-30(49-20-16-42-45-39)23-29(37)24-34(36)50-21-17-43-46-40/h5-7,10-11,27,29-36H,8-9,12-26H2,1-4H3/t27-,29?,30-,31-,32+,33+,34-,35+,36+,37+,38-/m1/s1