HIT ID: HIT217584535
Cas No: T78377
分子式: C64H93N19O19
分子量: 1432.562
常用名: CTP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid
IUPAC: (2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
InChI key: MAHZUEBLXAXNKY-PLNOUXKFSA-N
