HIT ID: HIT217584812
Cas No: T82768
分子式: C77H135N13O24S
分子量: 1659.05
常用名: CBLB 612
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-{2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-{[(2S)-2,3-bis(hexadecanoyloxy)propyl]sulfanyl}propanamido]-3-methylbutanamido]-4-carbamoylbutanamido]acetamido}-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-{[(2S)-2,3-bis(hexadecanoyloxy)propyl]sulfanyl}propanamido]-3-methylbutanamido]-4-carbamoylbutanamido]acetamido}-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]hexanoic acid
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
InChI key: JJPFGYKSHVVRDE-LXCBNONTSA-N
