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-butanoic acid

Systemtic Name: 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-butanoic acid Openeye Name: 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-butanoic acid CAS Name: 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-methylbutanoic acid IUPAC Name: 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-methylbutanoic acid Traditional Name: 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-butyric acid Formula: C68H120N22O16 MolecularWeight: 1501.8182

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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)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)O)N

InChI

InChI=1S/C68H120N22O16/c1-35(2)31-43(71)57(96)81-39(9)55(94)80-40(10)56(95)89-53(37(5)6)65(104)88-49(32-36(3)4)58(97)79-34-52(93)82-44(17-11-13-27-69)59(98)83-46(19-15-29-77-67(73)74)61(100)87-50(33-41-21-23-42(91)24-22-41)64(103)85-45(18-12-14-28-70)60(99)86-48(25-26-51(72)92)62(101)84-47(20-16-30-78-68(75)76)63(102)90-54(38(7)8)66(105)106/h21-24,35-40,43-50,53-54,91H,11-20,25-34,69-71H2,1-10H3,(H2,72,92)(H,79,97)(H,80,94)(H,81,96)(H,82,93)(H,83,98)(H,84,101)(H,85,103)(H,86,99)(H,87,100)(H,88,104)(H,89,95)(H,90,102)(H,105,106)(H4,73,74,77)(H4,75,76,78)