| CAS Number | 579492-81-2 |
| Catalog Number | AG00ECG4(AGN-PC-0OCNEX) |
| Chemical Name | BAX INHIBITING PEPTIDE V5 (BIP-V5) |
| IUPAC Name | (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid |
| InChI | InChI=1S/C27H50N6O6S/c1-16(2)15-20(24(35)31-19(27(38)39)9-6-7-12-28)32-23(34)18(11-14-40-5)30-25(36)21-10-8-13-33(21)26(37)22(29)17(3)4/h16-22H,6-15,28-29H2,1-5H3,(H,30,36)(H,31,35)(H,32,34)(H,38,39)/t18-,19-,20-,21-,22-/m0/s1 |
| InChI Key | NHMUTADCTDDWPV-YFNVTMOMSA-N |
| MDL Number | MFCD11045561 |
| Molecular Formula | C27H50N6O6S |
| Molecular Weight | 586.7875 |
| SMILES | O=C([C@H](CCC1)N1C([C@@H](N)C(C)C)=O)N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CCCCN)=O)=O |
| Synonyms | pentapeptide V5,
Val-Pro-Met-Leu-Lys,
Bax inhibitor peptide V5,
Val-Pro-Met-Leu-Lys,
579492-81-2,
HY-P0081,
ZINC98052521,
AKOS024456777,
CS-5509,
pentapeptide V5,
BIP V5,
CID10129115,
CID 10129115,
C509183,
|
| Complexity | 857 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 586.351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 586.793g/mol |
| Monoisotopic Mass | 586.351g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 222A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number