KR-12 (human)
HIT218848378
sdf文件结构编辑类似物检索
HIT ID: HIT218848378
Cas No: 1218951-51-9
分子式: C71H127N25O15
分子量: 1570.957
常用名: KR-12 (human)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]pentanamido]-3-methylpentanamido]hexanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanamido]-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]pentanamido]-3-methylpentanamido]hexanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
InChI key: DWPIYOBYHJUPAG-ZFXZXRHDSA-N
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