(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]hexanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]propionic acid Formula: C36H68N14O10 MolecularWeight: 857.01292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C36H68N14O10/c1-19(2)16-25(49-29(53)20(3)39)33(57)50-26(17-27(40)51)34(58)48-24(11-6-8-14-38)32(56)47-22(12-9-15-43-36(41)42)30(54)44-18-28(52)46-23(10-5-7-13-37)31(55)45-21(4)35(59)60/h19-26H,5-18,37-39H2,1-4H3,(H2,40,51)(H,44,54)(H,45,55)(H,46,52)(H,47,56)(H,48,58)(H,49,53)(H,50,57)(H,59,60)(H4,41,42,43)/t20-,21-,22-,23-,24-,25-,26-/m0/s1