HIT ID: HIT214323833
Cas No: 41594-08-5
分子式: C135H222N38O49
分子量: 3161.478
常用名: C-Peptide 2, rat
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-[2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-4-carboxybutanamido]-4-methylpentanamido]acetamido}acetamido)acetyl]pyrrolidin-2-yl]formamido}acetamido)propanamido]acetamido}-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-[2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylbutanamido]propanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-4-carboxybutanamido]-4-methylpentanamido]acetamido}acetamido)acetyl]pyrrolidin-2-yl]formamido}acetamido)propanamido]acetamido}-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O |@:87,191|
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O |@:87,191|
InChI key: FTQDECCCBSIKKA-KSSULORUSA-N