(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]pentanediamide

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]pentanediamide Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]-4-amino-4-oxo-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]pentanediamide CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]amino]-4-amino-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]pentanediamide IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]pentanediamide Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-acetamido-4-(methylthio)butanoyl]amino]-4-amino-4-keto-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]glutaramide Formula: C27H40N8O8S MolecularWeight: 636.7203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N8O8S/c1-15(36)32-18(10-11-44-2)26(42)35-20(13-22(29)38)25(41)31-14-23(39)33-19(12-16-6-4-3-5-7-16)27(43)34-17(24(30)40)8-9-21(28)37/h3-7,17-20H,8-14H2,1-2H3,(H2,28,37)(H2,29,38)(H2,30,40)(H,31,41)(H,32,36)(H,33,39)(H,34,43)(H,35,42)/t17-,18-,19-,20-/m0/s1