6-azanyl-2-[[1-[2-[[2-[2-[[2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-[2-[[2-[2-[[2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[1-[2-[[2-[2-[[2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]propanoylamino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-[2-[[2-[2-[[2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[1-[2-[[2-[2-[[2-(glycylamino)-5-guanidino-pentanoyl]amino]propanoylamino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]hexanoic acid Formula: C29H51N11O11 MolecularWeight: 729.78234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C29H51N11O11/c1-15(35-24(46)16(36-21(42)13-31)7-4-10-34-29(32)33)23(45)38-18(12-22(43)44)25(47)39-19(14-41)27(49)40-11-5-8-20(40)26(48)37-17(28(50)51)6-2-3-9-30/h15-20,41H,2-14,30-31H2,1H3,(H,35,46)(H,36,42)(H,37,48)(H,38,45)(H,39,47)(H,43,44)(H,50,51)(H4,32,33,34)