Chemical Compound
(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[3-({2-[(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-({2-[(2-{[(2S)-1-{[(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)disulfanyl]ethyl}carbamoyl)butanamido]ethyl}disulfanyl)-N-methylpropanamido]propanoate
Primary record
(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[3-({2-[(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-({2-[(2-{[(2S)-1-{[(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)disulfanyl]ethyl}carbamoyl)butanamido]ethyl}disulfanyl)-N-methylpropanamido]propanoate
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177466867
- SMILES
- C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)CC[C@@H](C(=O)NCCSSCCC(=O)N(C)[C@@H](C)C(=O)OC5CC(=O)N(C6=C(C(=CC(=C6)C/C(=C\C=C[C@H]([C@]7(C[C@@H]([C@H]([C@H]8[C@]5(O8)C)C)OC(=O)N7)O)OC)/C)OC)Cl)C)NC(=O)C9=CC=C(C=C9)NCC1=CN=C3C(=N1)C(=O)N=C(N3)N)C)\C)OC)(NC(=O)O2)O
- Canonical SMILES
- COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)[C@H](C)N(C)C(=O)CCSSCCNC(=O)[C@H](CCC(=O)NCCSSCCC(=O)N(C)[C@@H](C)C(=O)OC1CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C\C=C/[C@@H](OC)[C@@]3(O)C[C@H](OC(=O)N3)[C@@H](C)[C@@H]3O[C@@]13C)NC(=O)c1ccc(NCc3cnc4[nH]c(N)nc(=O)c4n3)cc1)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=C/C=C(/C)C2
名称与同义词
- J908.228J
- (1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-[3-({2-[(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-({2-[(2-{[(2S)-1-{[(1S,2R,3S,5S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}ethyl)disulfanyl]ethyl}carbamoyl)butanamido]ethyl}disulfanyl)-N-methylpropanamido]propanoate
- N-[(S)-1-[[2-[[2-[Methyl[2 -de(acetylmethylamino)maytansin-2 -yl]carbamoyl]ethyl]dithio]ethyl]carbamoyl]-3-[[2-[[2-[methyl[2 -de(acetylmethylamino)maytansin-2 -yl]carbamoyl]ethyl]dithio]ethyl]carbamoyl]propyl]-4-[[[(1,4-dihydro-2-amino-4-oxopteridin)-6-yl]methyl]amino]benzamide