(3S)-3-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2R)-3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2R)-3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2R)-3-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]thio]-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanyl-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1R)-1-[[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]thio]methyl]-2-hydroxy-2-keto-ethyl]amino]-3-[[2-[[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C29H50N8O18S MolecularWeight: 830.8151

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CSC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(=O)O)NC(=O)CN)CN=C(N)N

Isomeric SMILES

C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(=O)O)NC(=O)CN)CN=C(N)N

InChI

InChI=1S/C29H50N8O18S/c30-5-15(40)35-10(2-1-3-33-29(31)32)24(49)34-6-16(41)36-11(4-17(42)43)25(50)37-12(26(51)52)9-56-28-22(48)20(46)23(14(8-39)54-28)55-27-21(47)19(45)18(44)13(7-38)53-27/h10-14,18-23,27-28,38-39,44-48H,1-9,30H2,(H,34,49)(H,35,40)(H,36,41)(H,37,50)(H,42,43)(H,51,52)(H4,31,32,33)/t10-,11-,12-,13+,14+,18-,19-,20+,21+,22+,23+,27-,28-/m0/s1