General Information of the Compound
| Compound ID |
CP0050220
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| Compound Name |
(S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoylamino)-methyl]-3-{1-[(S)-1-carboxy-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-cyclopentyl}-propionic acid
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| Synonyms |
(3R)-3-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-4-[1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclopentyl]butanoic acid
AC1L2YMI
C26H40N4O9S
LS-172743
SCHEMBL49065
Sampatrilat
UK 81252
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| Structure |
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| Formula |
C26H40N4O9S
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| Molecular Weight |
584.692
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| Canonical SMILES |
CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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| InChIKey |
LPUDGHQMOAHMMF-JBACZVJFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound