名称: 19b
IUPAC: methyl (3aS,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-5-[[[4-[[[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]cyclohexanecarbonyl]amino]methyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carboxylate
SMILES:
COC(=O)[C@]12O[C@@H](CNC(=O)C3CCC(CNC(=O)CNC(=O)CN4CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC4)CC3)[C@H](O)[C@H]1OC(C)(C)O2Canonical SMILES:
CC1(OC2C(C(OC2(O1)C(=O)OC)CNC(=O)C3CCC(CC3)CNC(=O)CNC(=O)CN4CCN(CCN(CCN(CC4)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)O)C分子式: C48H83N7O15
分子量: 998.20
InChIKey: VKKLMKZVNZUAGU-YUFZWBRPSA-N
InChI:
PubChem CID: 86591981 →InChI=1S/C48H83N7O15/c1-44(2,3)66-37(58)29-53-19-17-52(18-20-54(30-38(59)67-45(4,5)6)22-24-55(23-21-53)31-39(60)68-46(7,8)9)28-36(57)50-27-35(56)49-25-32-13-15-33(16-14-32)42(62)51-26-34-40(61)41-48(65-34,43(63)64-12)70-47(10,11)69-41/h32-34,40-41,61H,13-31H2,1-12H3,(H,49,56)(H,50,57)(H,51,62)/t32?,33?,34-,40-,41+,48-/m0/s1同義語
VKKLMKZVNZUAGU-YUFZWBRPSA-Nmethyl (3aS,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-5-({[(4-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl} glycyl)amino]methyl}cyclohexyl)carbonyl]amino}methyl)dihydrofuro[2,3-d][1,3]dioxole-3a(5H)-carboxylatemethyl (3as,5s,6s,6ar)-6-hydroxy-2,2-dimethyl-5-({[(4-{[(n-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}glycyl) amino]methyl}cyclohexyl)carbonyl]amino}methyl)dihydrofuro [2,3-d][1,3]dioxole-3a(5h)-carboxylatemethyl (3aS,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-5-({[(4-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}glycyl)amino]methyl}cyclohexyl)carbonyl]amino}methyl)dihydrofuro [2,3-d][1,3]dioxole-3a(5H)-carboxylatemethyl (3aS,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-5-({[(4-{[(N-{[4,7,10-tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetyl}glycyl)amino]methyl}cyclohexyl)carbonyl]amino}methyl)dihydrofuro[2,3-d][1,3]dioxole-3a(5H)-carboxylate