Vc-MMAD
Vc-MMAD · CAS 1401963-17-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vc-MMAD
- CAS
- 1401963-17-4
- CID
- 78357803
- IUPAC 名称
- [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-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
- Vc-MMAD
- CAS
- 1401963-17-4
- CID
- 78357803
- IUPAC 名称
- [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-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
- C70H104N12O14S
- 分子量
- 1369.7 g/mol
- 精确质量
- 1368.75156721 Da
- 单同位素质量
- 1368.75156721 Da
- XLogP
- 6.2
- 极性表面积
- 368 Ų
- 氢键供体
- 7
- 氢键受体
- 16
- 可旋转键
- 40
- 重原子数
- 97
- 净电荷
- 0
- 结构复杂度
- 2620
结构标识
- InChIKey
- GRBICHHPFYWKKI-BDVWXETGSA-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](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC4=CC=C(C=C4)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O
- InChI
- InChI=1S/C70H104N12O14S/c1-14-45(8)61(53(94-12)40-57(86)81-37-22-26-52(81)62(95-13)46(9)63(87)76-51(67-72-35-38-97-67)39-47-23-17-15-18-24-47)79(10)68(91)59(43(4)5)78-66(90)60(44(6)7)80(11)70(93)96-41-48-28-30-49(31-29-48)74-64(88)50(25-21-34-73-69(71)92)75-65(89)58(42(2)3)77-54(83)27-19-16-20-36-82-55(84)32-33-56(82)85/h15,17-18,23-24,28-33,35,38,42-46,50-53,58-62H,14,16,19-22,25-27,34,36-37,39-41H2,1-13H3,(H,74,88)(H,75,89)(H,76,87)(H,77,83)(H,78,90)(H3,71,73,92)/t45-,46+,50-,51-,52-,53+,58-,59-,60-,61-,62+/m0/s1