Peptide 401
HIT218851887
sdf文件结构编辑类似物检索
HIT ID: HIT218851887
Cas No: 32908-73-9
分子式: C110H192N40O24S4
分子量: 2587.24
常用名: Peptide 401
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-6-amino-2-(2-{[(1R,4S,7S,10S,16S,19S,25S,28S,31S,34R,39R,42S,45S,48S,55R,58S)-55-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-16,31,45-tris(4-aminobutyl)-4,19,42-tris[(2S)-butan-2-yl]-28,48-bis(3-carbamimidamidopropyl)-58-(carbamoylmethyl)-7,25-bis[(1H-imidazol-5-yl)methyl]-3,6,9,15,18,21,24,27,30,33,41,44,47,50,56,59-hexadecaoxo-22-(propan-2-yl)-36,37,52,53-tetrathia-2,5,8,14,17,20,23,26,29,32,40,43,46,49,57,60-hexadecaazatricyclo[32.16.10.0^{10,14}]hexacontan-39-yl]formamido}acetamido)hexanamido]butanediamide
IUPAC: (2S)-2-[(2S)-6-amino-2-(2-{[(1R,4S,7S,10S,16S,19S,25S,28S,31S,34R,39R,42S,45S,48S,55R,58S)-55-[(2S)-6-amino-2-[(2S,3S)-2-amino-3-methylpentanamido]hexanamido]-16,31,45-tris(4-aminobutyl)-4,19,42-tris[(2S)-butan-2-yl]-28,48-bis(3-carbamimidamidopropyl)-58-(carbamoylmethyl)-7,25-bis[(1H-imidazol-5-yl)methyl]-3,6,9,15,18,21,24,27,30,33,41,44,47,50,56,59-hexadecaoxo-22-(propan-2-yl)-36,37,52,53-tetrathia-2,5,8,14,17,20,23,26,29,32,40,43,46,49,57,60-hexadecaazatricyclo[32.16.10.0^{10,14}]hexacontan-39-yl]formamido}acetamido)hexanamido]butanediamide
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)C(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cnc[nH]1)NC2=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C)[C@@H](C)CC
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)C(NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1cnc[nH]1)NC2=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C)[C@@H](C)CC
InChI key: COXZPDHTJACGLG-QOBGCJDVSA-N
共显示1个结果
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