2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[4-azanyl-2-[[2-[[2-[[4-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-valeric acid Formula: C50H84N20O14 MolecularWeight: 1189.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H84N20O14/c1-25(72)39(47(82)68-35(22-38(55)74)44(79)65-32(48(83)84)15-9-19-61-50(58)59)70-46(81)36(24-71)69-45(80)34(21-37(54)73)67-42(77)31(14-5-7-17-52)64-43(78)33(20-26-23-62-29-12-3-2-10-27(26)29)66-41(76)30(13-4-6-16-51)63-40(75)28(53)11-8-18-60-49(56)57/h2-3,10,12,23,25,28,30-36,39,62,71-72H,4-9,11,13-22,24,51-53H2,1H3,(H2,54,73)(H2,55,74)(H,63,75)(H,64,78)(H,65,79)(H,66,76)(H,67,77)(H,68,82)(H,69,80)(H,70,81)(H,83,84)(H4,56,57,60)(H4,58,59,61)