2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]ethanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetic acid CAS Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]acetic acid IUPAC Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetic acid Traditional Name: 2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]acetic acid Formula: C59H92N18O12 MolecularWeight: 1245.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)N

InChI

InChI=1S/C59H92N18O12/c1-5-35(4)49(77-56(87)43(28-37-19-10-7-11-20-37)75-57(88)48(63)34(2)3)58(89)76-44(29-38-31-66-33-69-38)54(85)74-45(30-46(62)78)55(86)73-42(27-36-17-8-6-9-18-36)53(84)72-40(22-13-15-25-61)51(82)71-41(23-16-26-67-59(64)65)52(83)70-39(21-12-14-24-60)50(81)68-32-47(79)80/h6-11,17-20,31,33-35,39-45,48-49H,5,12-16,21-30,32,60-61,63H2,1-4H3,(H2,62,78)(H,66,69)(H,68,81)(H,70,83)(H,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,88)(H,76,89)(H,77,87)(H,79,80)(H4,64,65,67)