methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate
Basic information
- CAS
215511-56-1- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC- InChIKey
MYAVIZSWDHVTAO-WRLCLINNSA-N- Molecular formula
- C40H54N4O7
- Average molar mass
- 702.9 g/mol
- Monoisotopic mass
- 702.39925007
Names & identifiers
- Preferred name
- methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate
- IUPAC
- methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
Names & synonyms
methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate215511-56-1DTXSID20944159methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoateBoc-Phe.psi.-(CHOHCH2NH)Phe-Ile-Phe-OMe(6S,10S,13S)-6,10-Dibenzyl-13-[(2S)-butan-2-yl]-4,7,11-trihydroxy-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-2,2-dimethyl-3-oxa-5,9,12-triazatetradeca-4,11-dien-14-imidic acid(S)-2-{(2S,3S)-2-[(S)-2-((2RS,3S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propanoylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid, methyl ester6,10-Dibenzyl-13-(butan-2-yl)-4,7,11-trihydroxy-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-2,2-dimethyl-3-oxa-5,9,12-triazatetradeca-4,11-dien-14-imidic acid
Database identifiers
- CAS
215511-56-1- PubChem CID
- 472301
- DTXSID
DTXSID20944159
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…