Phe-Thr-Thr-Phe-Thr-Val-Thr
(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
Molecular Identity
Phe-Thr-Thr-Phe-Thr-Val-Thr
(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
PubChem CID: 86268043
2D Structure
Properties
C39H57N7O12
Molecular Formula
815.90
Molecular Weight
g/mol
815.4065
Exact Mass
Da
-4.2
XLogP
Drug-like (Lipinski: < 5)
319
TPSA
May have limited oral absorption
12
H-Bond Donors
13
H-Bond Acceptors
1390
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)NC(C(C)O)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)N)OSynonyms(8)
CSP7UNII-JE7G34JYW4CSP-7JE7G34JYW4LTI-03Phe-Thr-Thr-Phe-Thr-Val-ThrL-Threonine, L-phenylalanyl-L-threonyl-L-threonyl-L-phenylalanyl-L-threonyl-L-valyl-1504575-10-3
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phe-Thr-Thr-Phe-Thr-Val-Thr
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