2-[[3-methyl-2-[[2-[[2-[2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[3-methyl-2-[[2-[[2-[2-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]butanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-1-oxoethyl]amino]-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetyl]amino]butanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-[[2-[[3-hydroxy-2-[[2-[[3-methyl-2-(prolylamino)pentanoyl]amino]acetyl]amino]butanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]amino]propionic acid Formula: C29H51N7O10S MolecularWeight: 689.82114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1

InChI

InChI=1S/C29H51N7O10S/c1-6-14(3)21(35-24(40)17-9-8-10-30-17)26(42)31-11-20(39)34-23(16(5)38)28(44)33-19(13-47)25(41)36-22(15(4)7-2)27(43)32-18(12-37)29(45)46/h14-19,21-23,30,37-38,47H,6-13H2,1-5H3,(H,31,42)(H,32,43)(H,33,44)(H,34,39)(H,35,40)(H,36,41)(H,45,46)