(3S)-3-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1-(carboxymethylamino)-3-[(2R,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]oxy-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-[[(2S)-1-(carboxymethylamino)-3-[(2R,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]oxy-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-[[(1S)-2-(carboxymethylamino)-1-[[(2R,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]oxymethyl]-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-[[(2S)-1-(carboxymethylamino)-3-[[(2R,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]oxy]-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-[[(2S)-1-(carboxymethylamino)-3-[(2R,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]oxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-(carboxymethylamino)-1-[[(2R,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]oxymethyl]-2-keto-ethyl]amino]-3-[[2-[[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C31H53N9O20 MolecularWeight: 871.80082

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(=O)NCC(=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](CO[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)NCC(=O)O)NC(=O)CN)CN=C(N)N

InChI

InChI=1S/C31H53N9O20/c32-5-16(43)38-11(2-1-3-35-31(33)34)26(54)36-6-17(44)39-12(4-18(45)46)28(56)40-13(27(55)37-7-19(47)48)10-57-29-24(53)22(51)25(15(9-42)59-29)60-30-23(52)21(50)20(49)14(8-41)58-30/h11-15,20-25,29-30,41-42,49-53H,1-10,32H2,(H,36,54)(H,37,55)(H,38,43)(H,39,44)(H,40,56)(H,45,46)(H,47,48)(H4,33,34,35)/t11-,12-,13-,14+,15+,20-,21-,22+,23+,24+,25+,29+,30-/m0/s1