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الاسم: 19a

IUPAC: methyl (3aR,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-[[[2-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carboxylate

SMILES: COC(=O)[C@@]12O[C@@H](CNC(=O)CNC(=O)CN3CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC3)[C@@H](O)[C@@H]1OC(C)(C)O2

Canonical SMILES: CC1(OC2C(C(OC2(O1)C(=O)OC)CNC(=O)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)O)C

الصيغة الجزيئية: C40H70N6O14

الوزن الجزيئي: 859.00

InChIKey: VHLIOYZKEPWFCT-MCISWUFOSA-N

InChI: InChI=1S/C40H70N6O14/c1-36(2,3)56-30(49)24-44-15-13-43(14-16-45(25-31(50)57-37(4,5)6)18-20-46(19-17-44)26-32(51)58-38(7,8)9)23-29(48)42-22-28(47)41-21-27-33(52)34-40(55-27,35(53)54-12)60-39(10,11)59-34/h27,33-34,52H,13-26H2,1-12H3,(H,41,47)(H,42,48)/t27-,33+,34-,40+/m0/s1

PubChem CID: 86591979 →

مرادفات

VHLIOYZKEPWFCT-MCISWUFOSA-Nmethyl (3aR,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl} glycyl)amino]methyl}dihydrofuro[2,3-d][1,3]dioxole-3a(5H)-carboxylatemethyl (3aR,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}glycyl)amino]methyl}dihydrofuro[2,3-d][1,3]dioxole-3a(5H) -carboxylatemethyl (3aR,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}glycyl)amino]methyl}dihydrofuro[2,3-d][1,3]dioxole-3a(5H)-carboxylatemethyl (3aR,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1-yl]acetyl}glycyl)amino]methyl}dihydrofuro[2,3-d][1,3]dioxole-3a(5H)-carboxylate

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