Name: Cephaibol A
Rating: 5 (10 reviews)

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HIT ID:HIT219600061
Cas No:304911-38-4
常用名:Cephaibol A
IUPAC:(2S)-2-{[(2S,4R)-1-{2-[(2R)-2-[(2S)-2-(2-{2-[2-(2-{2-[(2S)-2-acetamido-3-phenylpropanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylbutanamido]-2-methylpropanoyl}-4-hydroxypyrrolidin-2-yl]formamido}-N-[(2R)-1-[(2S,4R)-4-hydroxy-2-({1-[(2S)-2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide
IUPAC:(2S)-2-{[(2S,4R)-1-{2-[(2R)-2-[(2S)-2-(2-{2-[2-(2-{2-[(2S)-2-acetamido-3-phenylpropanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylbutanamido]-2-methylpropanoyl}-4-hydroxypyrrolidin-2-yl]formamido}-N-[(2R)-1-[(2S,4R)-4-hydroxy-2-({1-[(2S)-2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide
InChI key:GRLRXSCBAQPCSF-OYVGIZINSA-N

分子式:C82H127N17O20
分子量:1671.017
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@](C)(CC)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(CO)Cc1ccccc1
SMILES:CC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@](C)(CC)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(CO)Cc1ccccc1

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