1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[5-[bis(azanyl)methylideneamino]-2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-(diaminomethylideneamino)-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]pentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]acetyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoyl]proline Formula: C56H97N17O18S MolecularWeight: 1328.53748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)N)N

InChI

InChI=1S/C56H97N17O18S/c1-8-29(6)44(72-48(83)33(13-9-10-18-57)66-47(82)32(14-11-19-62-56(60)61)65-41(75)25-63-45(80)31(58)23-40(59)74)53(88)71-38(26-92)52(87)69-36(22-28(4)5)50(85)70-37(24-43(78)79)51(86)68-35(21-27(2)3)49(84)67-34(16-17-42(76)77)46(81)64-30(7)54(89)73-20-12-15-39(73)55(90)91/h27-39,44,92H,8-26,57-58H2,1-7H3,(H2,59,74)(H,63,80)(H,64,81)(H,65,75)(H,66,82)(H,67,84)(H,68,86)(H,69,87)(H,70,85)(H,71,88)(H,72,83)(H,76,77)(H,78,79)(H,90,91)(H4,60,61,62)