Cbz-Thr(tBu)-Cha-Ala((S)-2-oxopyrrolidin-3-yl)-SH
(2S)-2-[[(2S)-3-cyclohexyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanethioic S-acid
Molecular Identity
Cbz-Thr(tBu)-Cha-Ala((S)-2-oxopyrrolidin-3-yl)-SH
(2S)-2-[[(2S)-3-cyclohexyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanethioic S-acid
PubChem CID: 16122561
2D Structure
Properties
C32H48N4O7S
Molecular Formula
632.80
Molecular Weight
g/mol
632.3244
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
153
TPSA
May have limited oral absorption
5
H-Bond Donors
8
H-Bond Acceptors
992
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)C(=O)S)NC(=O)OCC3=CC=CC=C3)OC(C)(C)CIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)S)NC(=O)OCC3=CC=CC=C3)OC(C)(C)CSynonyms(2)
NOLQIEXTSIPSBLKQF-GWCXRDAXSA-N
Data from PubChem (NCBI)
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Molecular Structure
Cbz-Thr(tBu)-Cha-Ala((S)-2-oxopyrrolidin-3-yl)-SH
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Drug Network
Trials and conditions connected to Cbz-Thr(tBu)-Cha-Ala((S)-2-oxopyrrolidin-3-yl)-SH
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