6-azanyl-2-[[2-[[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[[2-[[2-[2-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[[2-[[2-[2-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]hexanoic acid Formula: C74H132N24O17 MolecularWeight: 1629.99048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C74H132N24O17/c1-39(2)35-47(78)62(104)88-43(9)60(102)87-44(10)61(103)97-58(41(5)6)71(113)96-54(36-40(3)4)63(105)86-38-57(101)89-48(19-11-14-30-75)64(106)90-50(22-17-33-84-73(80)81)66(108)95-55(37-45-24-26-46(99)27-25-45)69(111)92-49(20-12-15-31-76)65(107)93-52(28-29-56(79)100)67(109)91-51(23-18-34-85-74(82)83)68(110)98-59(42(7)8)70(112)94-53(72(114)115)21-13-16-32-77/h24-27,39-44,47-55,58-59,99H,11-23,28-38,75-78H2,1-10H3,(H2,79,100)(H,86,105)(H,87,102)(H,88,104)(H,89,101)(H,90,106)(H,91,109)(H,92,111)(H,93,107)(H,94,112)(H,95,108)(H,96,113)(H,97,103)(H,98,110)(H,114,115)(H4,80,81,84)(H4,82,83,85)