HIT ID: HIT212661603
Cas No:
分子式: C60H108N20O20S
分子量: 1461.7
常用名: SV40 large T antigen NLS acetate
常用名: SV40 large T antigen NLS acetate
氢键受体数 (HBA): 26
氢键供体数 (HBD): 23
LogP: -16.585176
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[2-(2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}acetamido)acetyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylbutanamido]-4-carboxybutanamido]butanedioic acid; acetic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[2-(2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}acetamido)acetyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylbutanamido]-4-carboxybutanamido]butanedioic acid; acetic acid
SMILES: CC(O)=O.CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
SMILES: CC(O)=O.CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI key: XXTWCVMQNGOWAY-DPJYEKHFSA-N
