Name: (2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-{2-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-2-(2-{6-[({3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]hexanamido}acetamido)-3-hydroxypropanamido]propanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
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HIT ID:HIT220803377
Cas No:
常用名:(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-{2-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-2-(2-{6-[({3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]hexanamido}acetamido)-3-hydroxypropanamido]propanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
常用名:(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-{2-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-2-(2-{6-[({3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]hexanamido}acetamido)-3-hydroxypropanamido]propanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
IUPAC:(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-{2-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-2-(2-{6-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]hexanamido}acetamido)-3-hydroxypropanamido]propanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
IUPAC:(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-{2-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-2-(2-{6-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino]hexanamido}acetamido)-3-hydroxypropanamido]propanamido]hexanamido]acetamido}propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanoic acid
InChI key:InChIKey=JUFDEVDPUMENAT-VDPSNLHXSA-N

分子式:C72H103N15O20S2
分子量:1562.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(O)=O

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