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methyl (2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-[(triphenyl-$l^{5}-phosphanylidene)amino]purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-azanyl-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

methyl (2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-[(triphenyl-$l^{5}-phosphanylidene)amino]purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-azanyl-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name:methyl (2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-[(triphenyl-$l^{5}-phosphanylidene)amino]purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-azanyl-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate
Openeye Name:methyl (2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-[(triphenyl-$l^{5}-phosphanylidene)amino]purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-amino-2-(benzyloxycarbonylamino)-6-oxo-hexanoate
CAS Name:(2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-(triphenylphosphoranylideneamino)-9-purinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-amino-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester
IUPAC Name:methyl (2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-[(triphenyl-$l^{5}-phosphanylidene)amino]purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-amino-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
Traditional Name:(2S,5R)-5-[[(3aS,4R,6S,6aR)-2,2-dimethyl-4-[6-(triphenylphosphoranylideneamino)purin-9-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl]-6-amino-2-(benzyloxycarbonylamino)-6-keto-hexanoic acid methyl ester
Formula: C47H50N7O7P
MolecularWeight: 855.916361
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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(CC(C2O1)N3C=NC4=C(N=CN=C43)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC(CCC(C(=O)OC)NC(=O)OCC8=CC=CC=C8)C(=O)N)C


Isomeric SMILES

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C[C@@H](CC[C@@H](C(=O)OC)NC(=O)OCC8=CC=CC=C8)C(=O)N)C


InChI

InChI=1S/C47H50N7O7P/c1-47(2)60-40-33(26-32(42(48)55)24-25-37(45(56)58-3)52-46(57)59-28-31-16-8-4-9-17-31)27-38(41(40)61-47)54-30-51-39-43(49-29-50-44(39)54)53-62(34-18-10-5-11-19-34,35-20-12-6-13-21-35)36-22-14-7-15-23-36/h4-23,29-30,32-33,37-38,40-41H,24-28H2,1-3H3,(H2,48,55)(H,52,57)/t32-,33+,37+,38-,40-,41+/m1/s1


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