methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H40N4O4S2 MolecularWeight: 512.7288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@H](CS)N

InChI

InChI=1S/C24H40N4O4S2/c1-5-16(2)21(26-14-18(25)15-33)23(30)28-20(13-17-9-7-6-8-10-17)22(29)27-19(11-12-34-4)24(31)32-3/h6-10,16,18-21,26,33H,5,11-15,25H2,1-4H3,(H,27,29)(H,28,30)/t16?,18-,19+,20+,21+/m1/s1