6-azanyl-2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoic acid Formula: C61H97N17O14 MolecularWeight: 1292.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N

InChI

InChI=1S/C61H97N17O14/c1-7-34(6)50(59(90)71-42(60(91)92)18-11-13-25-63)78-55(86)44(28-36-30-69-40-17-9-8-15-38(36)40)73-53(84)45(29-47(65)81)74-57(88)49(33(4)5)77-54(85)43(27-35-20-22-37(80)23-21-35)72-52(83)41(19-14-26-68-61(66)67)70-56(87)46(31-79)75-58(89)48(32(2)3)76-51(82)39(64)16-10-12-24-62/h8-9,15,17,20-23,30,32-34,39,41-46,48-50,69,79-80H,7,10-14,16,18-19,24-29,31,62-64H2,1-6H3,(H2,65,81)(H,70,87)(H,71,90)(H,72,83)(H,73,84)(H,74,88)(H,75,89)(H,76,82)(H,77,85)(H,78,86)(H,91,92)(H4,66,67,68)