HIT ID: HIT212659289
Cas No: T7566L
分子式: C32H51F6N11O15
分子量: 943.812
常用名: GRGDSPK 2TFA
氢键受体数 (HBA): 16
氢键供体数 (HBD): 13
LogP: -11.352271
IUPAC: (2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]acetamido}-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}hexanoic acid; bis(trifluoroacetic acid)
IUPAC: (2S)-6-amino-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]acetamido}-3-carboxypropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}hexanoic acid; bis(trifluoroacetic acid)
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(O)=O
InChI key: CZOWXVPMOSENBY-TYVXZMKCSA-N
