(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-2-[[(2S)-5-oxidanyl-5-oxidanylidene-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-5-oxo-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-1,5-dioxo-2-[[(2S)-1-oxo-2-(1-oxotetradecylamino)propyl]amino]pentyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-5-oxo-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-5-keto-2-[[(2S)-2-(tetradecanoylamino)propanoyl]amino]pentanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-5-keto-valeric acid Formula: C38H67N7O12S MolecularWeight: 846.04328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C38H67N7O12S/c1-5-6-7-8-9-10-11-12-13-14-15-16-31(48)40-24(2)33(51)42-26(18-20-32(49)50)35(53)41-25(3)34(52)43-27(21-22-58-4)36(54)45-29(23-46)37(55)44-28(38(56)57)17-19-30(39)47/h24-29,46H,5-23H2,1-4H3,(H2,39,47)(H,40,48)(H,41,53)(H,42,51)(H,43,52)(H,44,55)(H,45,54)(H,49,50)(H,56,57)/t24-,25-,26-,27-,28-,29-/m0/s1