(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-valeric acid Formula: C46H80N10O16S MolecularWeight: 1061.2498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C46H80N10O16S/c1-20(2)16-26(47)38(63)53-31(19-73)42(67)56-34(22(5)6)43(68)48-25(11)37(62)54-35(23(7)8)44(69)50-27(12-14-32(58)59)39(64)49-28(13-15-33(60)61)40(65)55-36(24(9)10)45(70)52-30(18-57)41(66)51-29(46(71)72)17-21(3)4/h20-31,34-36,57,73H,12-19,47H2,1-11H3,(H,48,68)(H,49,64)(H,50,69)(H,51,66)(H,52,70)(H,53,63)(H,54,62)(H,55,65)(H,56,67)(H,58,59)(H,60,61)(H,71,72)/t25-,26-,27-,28-,29-,30-,31-,34-,35-,36-/m0/s1