ReACp53 acetate
HIT214391071
sdf文件结构编辑类似物检索
HIT ID: HIT214391071
Cas No: TP1427L
分子式: C110H210N52O26
分子量: 2677.228
常用名: ReACp53 acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-hydroxybutanamido]-4-methylpentanamido]pentanedioic acid; acetic acid
IUPAC: (2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-3-methylpentanamido]-3-hydroxybutanamido]-4-methylpentanamido]pentanedioic acid; acetic acid
SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |lp:2:2,3:2,9:1,11:2,16:1,18:1,19:1,20:1,22:2,24:1,26:2,32:1,34:2,36:1,38:2,43:1,45:2,50:1,52:1,53:1,54:1,56:2,61:1,63:1,64:1,65:1,67:2,72:1,74:1,75:1,76:1,78:2,83:1,85:1,86:1,87:1,89:2,94:1,96:1,97:1,98:1,100:2,105:1,107:1,108:1,109:1,111:2,116:1,118:1,119:1,120:1,122:2,127:1,129:1,130:1,131:1,133:2,138:1,140:1,141:1,142:1,144:2,146:1,150:1,152:1,153:1,160:2,162:2,163:1,167:2,169:2,170:1,177:2,178:1,183:2,184:2,186:2,187:2|
SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O |lp:2:2,3:2,9:1,11:2,16:1,18:1,19:1,20:1,22:2,24:1,26:2,32:1,34:2,36:1,38:2,43:1,45:2,50:1,52:1,53:1,54:1,56:2,61:1,63:1,64:1,65:1,67:2,72:1,74:1,75:1,76:1,78:2,83:1,85:1,86:1,87:1,89:2,94:1,96:1,97:1,98:1,100:2,105:1,107:1,108:1,109:1,111:2,116:1,118:1,119:1,120:1,122:2,127:1,129:1,130:1,131:1,133:2,138:1,140:1,141:1,142:1,144:2,146:1,150:1,152:1,153:1,160:2,162:2,163:1,167:2,169:2,170:1,177:2,178:1,183:2,184:2,186:2,187:2|
InChI key: LWNZGRDWMGKDTN-VYEUVIPXSA-N
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