0Z7
N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
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as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries
Chemical Component Summary | |
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Name | N-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 |
Formula | C27 H38 Cl N6 O4 |
Molecular Weight | 546.081 |
Type | NON-POLYMER |
Isomeric SMILES | CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O |
InChI | InChI=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 |
InChIKey | SPENPXIFXGPVHG-UARRHKHWSA-O |
Chemical Details | |
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Formal Charge | 1 |
Atom Count | 76 |
Chiral Atom Count | 4 |
Bond Count | 77 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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PubChem | 137347915 |