(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-(methylthio)butanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid Formula: C27H49N5O6S MolecularWeight: 571.77286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCSC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)N

InChI

InChI=1S/C27H49N5O6S/c1-15(2)13-19(23(33)30-20(27(37)38)14-16(3)4)29-25(35)22(17(5)6)31-24(34)21-9-8-11-32(21)26(36)18(28)10-12-39-7/h15-22H,8-14,28H2,1-7H3,(H,29,35)(H,30,33)(H,31,34)(H,37,38)/t18-,19-,20-,21-,22-/m0/s1