(2S)-2-[[(2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[butylamino(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(butylcarbamoylamino)-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C25H40N4O5S MolecularWeight: 508.6739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C25H40N4O5S/c1-5-6-13-26-25(34)29-19(12-14-35-4)22(30)27-20(15-17(2)3)23(31)28-21(24(32)33)16-18-10-8-7-9-11-18/h7-11,17,19-21H,5-6,12-16H2,1-4H3,(H,27,30)(H,28,31)(H,32,33)(H2,26,29,34)/t19-,20-,21-/m0/s1