(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-2',5',7'-trimethyl-5'-oxidanyl-4'-oxidanylidene-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-2',5',7'-trimethyl-5'-oxidanyl-4'-oxidanylidene-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-spiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-spiro[cyclopropane-1,6'-indene]yl]methylthio]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[[(5'R)-5'-hydroxy-4'-keto-2',5',7'-trimethyl-spiro[cyclopropane-1,6'-indene]-1'-yl]methylthio]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C32H47N3O7S MolecularWeight: 617.79648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CSCC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CSC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)C

InChI

InChI=1S/C32H47N3O7S/c1-16(2)11-23(28(38)35-24(30(40)41)12-17(3)4)34-29(39)25(33-20(7)36)15-43-14-22-18(5)13-21-26(22)19(6)32(9-10-32)31(8,42)27(21)37/h13,16-17,23-25,42H,9-12,14-15H2,1-8H3,(H,33,36)(H,34,39)(H,35,38)(H,40,41)/t23-,24-,25+,31-/m0/s1