2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-amino-4-methyl-pentanoyl)prolyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-(methylthio)butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C57H105N19O16S2 MolecularWeight: 1376.6913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H105N19O16S2/c1-28(2)24-33(59)54(90)76-22-13-17-41(76)51(87)69-35(15-11-20-64-56(60)61)45(81)66-30(5)44(80)71-38(25-29(3)4)49(85)68-37(18-23-94-8)48(84)67-36(16-12-21-65-57(62)63)46(82)72-39(26-77)50(86)74-43(32(7)79)53(89)75-42(31(6)78)52(88)70-34(14-9-10-19-58)47(83)73-40(27-93)55(91)92/h28-43,77-79,93H,9-27,58-59H2,1-8H3,(H,66,81)(H,67,84)(H,68,85)(H,69,87)(H,70,88)(H,71,80)(H,72,82)(H,73,83)(H,74,86)(H,75,89)(H,91,92)(H4,60,61,64)(H4,62,63,65)