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

Systemtic Name: 6-azanyl-2-[[2-[[4-azanyl-2-[[2-[[5-azanyl-2-[[2-[2-[[2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[2-[[2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid Formula: C60H98N20O14 MolecularWeight: 1323.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C60H98N20O14/c1-4-33(2)48(80-54(89)39(16-8-10-26-61)73-50(85)38(63)30-36-20-22-37(81)23-21-36)57(92)72-34(3)49(84)78-44(31-35-14-6-5-7-15-35)55(90)76-42(24-25-46(64)82)53(88)74-41(19-13-29-71-60(68)69)52(87)79-45(32-47(65)83)56(91)75-40(18-12-28-70-59(66)67)51(86)77-43(58(93)94)17-9-11-27-62/h5-7,14-15,20-23,33-34,38-45,48,81H,4,8-13,16-19,24-32,61-63H2,1-3H3,(H2,64,82)(H2,65,83)(H,72,92)(H,73,85)(H,74,88)(H,75,91)(H,76,90)(H,77,86)(H,78,84)(H,79,87)(H,80,89)(H,93,94)(H4,66,67,70)(H4,68,69,71)