0Z7

N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide



Chemical Component Summary

NameN-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
Identifiers[[[(4S,5S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-6-chloranyl-5-oxidanyl-hexyl]amino]-azanyl-methylidene]azanium
FormulaC27 H38 Cl N6 O4
Molecular Weight546.081
TypeNON-POLYMER
Isomeric SMILESCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O
InChIInChI=1S/C27H37ClN6O4/c1-18(35)32-22(15-19-9-4-2-5-10-19)25(37)34-23(16-20-11-6-3-7-12-20)26(38)33-21(24(36)17-28)13-8-14-31-27(29)30/h2-7,9-12,21-24,36H,8,13-17H2,1H3,(H,32,35)(H,33,38)(H,34,37)(H4,29,30,31)/p+1/t21-,22+,23-,24+/m0/s1
InChIKeySPENPXIFXGPVHG-UARRHKHWSA-O

Chemical Details

Formal Charge1
Atom Count76
Chiral Atom Count4
Bond Count77
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137347915