(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-4-(methylthio)butyric acid Formula: C31H43N5O6S MolecularWeight: 613.76802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C31H43N5O6S/c1-19(2)26(36-28(38)23(32)17-21-11-7-5-8-12-21)30(40)35-25(18-22-13-9-6-10-14-22)29(39)33-20(3)27(37)34-24(31(41)42)15-16-43-4/h5-14,19-20,23-26H,15-18,32H2,1-4H3,(H,33,39)(H,34,37)(H,35,40)(H,36,38)(H,41,42)/t20-,23-,24-,25-,26-/m0/s1