6-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]hexanoic acid Openeye Name: 6-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]hexanoic acid CAS Name: 6-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]hexanoic acid IUPAC Name: 6-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid Traditional Name: 6-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]hexanoic acid Formula: C30H52N8O12S MolecularWeight: 748.84528

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)NCCCCCC(=O)O)N

Isomeric SMILES

C[C@@H](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)NCCCCCC(=O)O)N

InChI

InChI=1S/C30H52N8O12S/c1-16(31)25(45)35-19(9-11-24(43)44)28(48)34-17(2)26(46)36-20(12-14-51-3)29(49)38-21(15-39)30(50)37-18(8-10-22(32)40)27(47)33-13-6-4-5-7-23(41)42/h16-21,39H,4-15,31H2,1-3H3,(H2,32,40)(H,33,47)(H,34,48)(H,35,45)(H,36,46)(H,37,50)(H,38,49)(H,41,42)(H,43,44)/t16-,17-,18-,19-,20-,21-/m0/s1