6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoic acid Formula: C39H71N15O7 MolecularWeight: 862.07734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N

InChI

InChI=1S/C39H71N15O7/c40-19-7-4-14-26(43)32(55)50-28(17-10-22-48-38(44)45)33(56)51-29(18-11-23-49-39(46)47)35(58)54-31(24-25-12-2-1-3-13-25)36(59)52-27(15-5-8-20-41)34(57)53-30(37(60)61)16-6-9-21-42/h1-3,12-13,26-31H,4-11,14-24,40-43H2,(H,50,55)(H,51,56)(H,52,59)(H,53,57)(H,54,58)(H,60,61)(H4,44,45,48)(H4,46,47,49)