HIT ID: HIT212068360
Cas No: 868844-74-0
分子式: C41H70N16O16S
分子量: 1075.17
常用名: SNAP8
氢键受体数 (HBA): 22
氢键供体数 (HBD): 19
LogP: -12.608371
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-acetamidobutanoic acid
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-acetamidobutanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)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](CC(O)=O)C(N)=O
SMILES: CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)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](CC(O)=O)C(N)=O
InChI key: KMACPCJUCHVVGP-FNRPHRCSSA-N
