HIT ID: HIT219422910
Cas No: 103226-11-5
分子式: C72H106N20O28
分子量: 1699.752
常用名: [Tyr0] Fibrinopeptide A, human
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]acetamido}-4-carboxybutanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]-4-carboxybutanamido]acetamido}acetamido)acetamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]acetamido}-4-carboxybutanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]-4-carboxybutanamido]acetamido}acetamido)acetamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: KCCOCTYTQAPZNB-NKBLSBRISA-N
