Sor-c13
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
Molecular Identity
Sor-c13
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
PubChem CID: 121596688
2D Structure
Properties
C72H116N20O19
Molecular Formula
1565.80
Molecular Weight
g/mol
1564.8726
Exact Mass
Da
-9.1
XLogP
Drug-like (Lipinski: < 5)
635
TPSA
May have limited oral absorption
20
H-Bond Donors
24
H-Bond Acceptors
3150
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NIsomeric SMILES
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NSynonyms(18)
SOR-C131187852-48-7C79B5A73C4L-Arginine, L-lysyl-L-alpha-glutamyl-L-phenylalanyl-L-leucyl-L-histidyl-L-prolyl-L-seryl-L-lysyl-L-valyl-L-alpha-aspartyl-L-leucyl-L-prolyl-RefChem:184376TRPV6 Calcium Channel Inhibitor SOR-C13(4S)-5-(((2S)-1-(((2S)-1-(((2S)-1-((2S)-2-(((2S)-1-(((2S)-6-amino-1-(((2S)-1-(((2S)-3-carboxy-1-(((2S)-1-((2S)-2-(((1S)-1-carboxy-4-(diaminomethylideneamino)butyl)carbamoyl)pyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-4-(((2S)-2,6-diaminohexanoyl)amino)-5-oxopentanoic acidUNII-C79B5A73C4orb1738185CHEMBL4228250SCHEMBL29926670GTPL12562BDBM50459973DB15366DA-58010
Data from PubChem (NCBI)
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