(3S)-3-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[1-[1-[2-(1-azanylpropan-2-yloxy)ethoxy]propan-2-yloxy]propan-2-ylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[1-[1-[2-(1-azanylpropan-2-yloxy)ethoxy]propan-2-yloxy]propan-2-ylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[2-[2-[2-(2-amino-1-methyl-ethoxy)ethoxy]-1-methyl-ethoxy]-1-methyl-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[1-[1-[2-(1-aminopropan-2-yloxy)ethoxy]propan-2-yloxy]propan-2-ylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[1-[1-[2-(1-aminopropan-2-yloxy)ethoxy]propan-2-yloxy]propan-2-ylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[2-[2-[2-(2-amino-1-methyl-ethoxy)ethoxy]-1-methyl-ethoxy]-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C23H46N8O8 MolecularWeight: 562.66014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)OCCOCC(C)OCC(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(CN)OCCOCC(C)OCC(C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C23H46N8O8/c1-14(12-39-16(3)13-37-7-8-38-15(2)10-24)30-22(36)18(9-20(33)34)31-19(32)11-29-21(35)17(25)5-4-6-28-23(26)27/h14-18H,4-13,24-25H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H,33,34)(H4,26,27,28)/t14?,15?,16?,17-,18-/m0/s1