HIT ID: HIT218851767
Cas No: 1240116-47-5
分子式: C76H130N18O20
分子量: 1615.982
常用名: Aurein 2.1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-methylbutanamido]acetamido}propanamido]-3-phenylpropanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-methylbutanamido]acetamido}propanamido]-3-phenylpropanamido]acetamido}-3-hydroxypropanamido]-4-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: SKNUTXWGJKHCEH-UJOXCNDQSA-N
