HIT ID: HIT217584694
Cas No: T81824
分子式: C75H135N17O17
分子量: 1547.007
常用名: Membrane-Permeable Sequence, MPS
常用名: Membrane-Permeable Sequence, MPS
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]hexanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: NCNXPSATCQJXAH-MYLBBMRFSA-N