HIT ID: HIT218887565
Cas No: 1411977-91-7
分子式: C49H79N5O12
分子量: 930.194
常用名: Acetylene-PEG3-MMAF-OMe
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(N-methyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}acetamido)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoate
IUPAC: methyl (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4S,5S)-4-[(2S)-N,3-dimethyl-2-[(2S)-3-methyl-2-(N-methyl-2-{2-[2-(prop-2-yn-1-yloxy)ethoxy]ethoxy}acetamido)butanamido]butanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoate
SMILES: [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)COCCOCCOCC#C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
SMILES: [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)COCCOCCOCC#C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChI key: IXHSQIFHDJLENR-ZPAUYSRYSA-N
