HIT ID: HIT219159013
Cas No:
分子式: C62H118F3N21O13
分子量: 1422.755
常用名: Isocromil
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid; trifluoroacetic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: OC(=O)C(F)(F)F.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: SPCFEKUJOXLWHQ-KWHCAZBOSA-N
