M918
HIT218850290
sdf文件结构编辑类似物检索
HIT ID: HIT218850290
Cas No:
分子式: C116H208N44O23S2
分子量: 2651.35
常用名: M918
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-methylpentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-({2-[(2S)-2-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]-3-methylpentanamide
IUPAC: (2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-hydroxybutanamido]-3-methylbutanamido]-4-methylpentanamido]-3-phenylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-({2-[(2S)-2-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]-3-methylpentanamide
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O
InChI key: JMTTVIHMOJZQIW-KOOAKDNOSA-N
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