2-[[5-azanyl-2-[[2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[5-azanyl-2-[[2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-valeric acid Formula: C41H82N22O9 MolecularWeight: 1027.23178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C41H82N22O9/c42-17-3-1-10-24(58-31(65)23(44)9-5-19-54-38(46)47)32(66)59-25(11-2-4-18-43)33(67)60-26(12-6-20-55-39(48)49)34(68)61-27(13-7-21-56-40(50)51)35(69)62-28(15-16-30(45)64)36(70)63-29(37(71)72)14-8-22-57-41(52)53/h23-29H,1-22,42-44H2,(H2,45,64)(H,58,65)(H,59,66)(H,60,67)(H,61,68)(H,62,69)(H,63,70)(H,71,72)(H4,46,47,54)(H4,48,49,55)(H4,50,51,56)(H4,52,53,57)