Name: H-D-MeAla-EtVaI-VaI-MeLeu-AIa-D-AIa-MeLeu-MeLeu-MeVaI-MeBmt(OAc)-Abu-O-CH2-CH2-NHMe
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HIT ID:HIT217584751
Cas No:
常用名:H-D-MeAla-EtVaI-VaI-MeLeu-AIa-D-AIa-MeLeu-MeLeu-MeVaI-MeBmt(OAc)-Abu-O-CH2-CH2-NHMe
常用名:H-D-MeAla-EtVaI-VaI-MeLeu-AIa-D-AIa-MeLeu-MeLeu-MeVaI-MeBmt(OAc)-Abu-O-CH2-CH2-NHMe
IUPAC:2-(methylamino)ethyl (2S)-2-[(2S,3R,4R,6E)-3-(acetyloxy)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-N-ethyl-2-(methylamino)propanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-4-methylpentanamido]propanamido]-N-methylpropanamido]-N,4-dimethylpentanamido]-N,4-dimethylpentanamido]-N,3-dimethylbutanamido]-4-methyloct-6-enamido]butanoate
IUPAC:2-(methylamino)ethyl (2S)-2-[(2S,3R,4R,6E)-3-(acetyloxy)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-N-ethyl-2-(methylamino)propanamido]-3-methylbutanamido]-N,3-dimethylbutanamido]-4-methylpentanamido]propanamido]-N-methylpropanamido]-N,4-dimethylpentanamido]-N,4-dimethylpentanamido]-N,3-dimethylbutanamido]-4-methyloct-6-enamido]butanoate
InChI key:YBHFACHBZLHXDI-QIWYZUHNSA-N

分子式:C68H124N12O14
分子量:1333.81
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)NC)C(C)C)C(=O)OCCNC
SMILES:CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)NC)C(C)C)C(=O)OCCNC

H-D-MeAla-EtVal-Val-MeLeu-AIa-D-AIa-MeLeu-MeLeu-MeVal-MeBmt(OAc)-Abu-O-CH2-CH2-NHMe 是一种非免疫抑制性的环孢菌素A衍生物，具备研究先天性肌营养不良症潜力[1]。

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