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2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name:	2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoic acid
Openeye Name:	2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid
CAS Name:	2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid
IUPAC Name:	2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Traditional Name:	2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid
Formula:	C₄₃H₇₅N₁₁O₁₆S₃
MolecularWeight:	1098.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H75N11O16S3/c1-20(2)12-24(34(61)46-16-32(59)60)49-36(63)23(10-11-73-9)48-40(67)29(19-72)52-41(68)33(22(5)56)54-39(66)27(17-55)51-37(64)25(13-21(3)4)50-38(65)26(14-30(44)57)47-31(58)15-45-35(62)28(18-71)53-42(69)70-43(6,7)8/h20-29,33,55-56,71-72H,10-19H2,1-9H3,(H2,44,57)(H,45,62)(H,46,61)(H,47,58)(H,48,67)(H,49,63)(H,50,65)(H,51,64)(H,52,68)(H,53,69)(H,54,66)(H,59,60)

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