Mal-PEG8-Val-Cit-PAB-MMAE
Mal-PEG8-Val-Cit-PAB-MMAE · CAS 2353409-69-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Mal-PEG8-Val-Cit-PAB-MMAE
- CAS
- 2353409-69-3
- CID
- 146026004
- IUPAC 名称
- [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Mal-PEG8-Val-Cit-PAB-MMAE
- CAS
- 2353409-69-3
- CID
- 146026004
- IUPAC 名称
- [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
分子属性
- 分子式
- C81H131N11O23
- 分子量
- 1627 g/mol
- 精确质量
- 1625.94192947 Da
- 单同位素质量
- 1625.94192947 Da
- XLogP
- 2.6
- 极性表面积
- 421 Ų
- 氢键供体
- 8
- 氢键受体
- 23
- 可旋转键
- 60
- 重原子数
- 115
- 净电荷
- 0
- 结构复杂度
- 2920
结构标识
- InChIKey
- XHWFOQLEVJXEET-DEJZISQWSA-N
- SMILES
- CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN4C(=O)C=CC4=O
- InChI
- InChI=1S/C81H131N11O23/c1-15-56(8)72(64(105-13)51-68(96)91-33-20-24-63(91)74(106-14)57(9)75(98)84-58(10)73(97)60-21-17-16-18-22-60)89(11)79(102)70(54(4)5)88-78(101)71(55(6)7)90(12)81(104)115-52-59-25-27-61(28-26-59)85-76(99)62(23-19-32-83-80(82)103)86-77(100)69(53(2)3)87-65(93)31-35-107-37-39-109-41-43-111-45-47-113-49-50-114-48-46-112-44-42-110-40-38-108-36-34-92-66(94)29-30-67(92)95/h16-18,21-22,25-30,53-58,62-64,69-74,97H,15,19-20,23-24,31-52H2,1-14H3,(H,84,98)(H,85,99)(H,86,100)(H,87,93)(H,88,101)(H3,82,83,103)/t56-,57+,58+,62-,63-,64+,69-,70-,71-,72-,73+,74+/m0/s1