2-[[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[4-methylsulfanyl-2-[[2-[2-(pyrrolidin-2-ylcarbonylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[4-methylsulfanyl-2-[[2-[2-(pyrrolidin-2-ylcarbonylamino)ethanoylamino]-3-sulfanyl-propanoyl]amino]butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-hydroxy-2-[[4-methylsulfanyl-2-[[2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]-3-sulfanyl-propanoyl]amino]butanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-hydroxy-2-[[2-[[3-mercapto-1-oxo-2-[[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]ethyl]amino]propyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-hydroxy-2-[[4-methylsulfanyl-2-[[2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-hydroxy-2-[[2-[[3-mercapto-2-[[2-(prolylamino)acetyl]amino]propanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-3-mercapto-propanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C44H78N12O15S3 MolecularWeight: 1111.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)CNC(=O)C1CCCN1

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)CNC(=O)C1CCCN1

InChI

InChI=1S/C44H78N12O15S3/c1-22(2)15-27(38(64)54-30(19-59)44(70)71)51-43(69)34(23(3)4)56-40(66)29(18-58)53-36(62)25(9-6-7-12-45)49-42(68)32(21-73)55-39(65)28(17-57)52-37(63)26(11-14-74-5)50-41(67)31(20-72)48-33(60)16-47-35(61)24-10-8-13-46-24/h22-32,34,46,57-59,72-73H,6-21,45H2,1-5H3,(H,47,61)(H,48,60)(H,49,68)(H,50,67)(H,51,69)(H,52,63)(H,53,62)(H,54,64)(H,55,65)(H,56,66)(H,70,71)