(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propionic acid Formula: C31H43N5O7S2 MolecularWeight: 661.83242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N5O7S2/c1-18(2)26(36-29(40)25(17-44)35-27(38)22(32)13-14-45-3)30(41)33-23(15-20-9-11-21(37)12-10-20)28(39)34-24(31(42)43)16-19-7-5-4-6-8-19/h4-12,18,22-26,37,44H,13-17,32H2,1-3H3,(H,33,41)(H,34,39)(H,35,38)(H,36,40)(H,42,43)/t22-,23-,24-,25-,26-/m0/s1