(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-2-[2-(2-azanylethanoylamino)ethanoylamino]-4-oxidanylidene-butanoyl]amino]-6-azanyl-hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-2-[2-(2-azanylethanoylamino)ethanoylamino]-4-oxidanylidene-butanoyl]amino]-6-azanyl-hexanoic acid Openeye Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxo-butanoyl]amino]-6-amino-hexanoic acid CAS Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-6-aminohexanoic acid IUPAC Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-6-aminohexanoic acid Traditional Name: (2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-2-[[2-(glycylamino)acetyl]amino]-4-keto-butanoyl]amino]-6-amino-hexanoic acid Formula: C28H45N7O14 MolecularWeight: 703.6954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)CN)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)CN)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H45N7O14/c1-13(36)32-23-25(48-16(4)39)24(47-15(3)38)19(12-46-14(2)37)49-27(23)35-20(40)9-18(33-22(42)11-31-21(41)10-30)26(43)34-17(28(44)45)7-5-6-8-29/h17-19,23-25,27H,5-12,29-30H2,1-4H3,(H,31,41)(H,32,36)(H,33,42)(H,34,43)(H,35,40)(H,44,45)/t17-,18-,19+,23+,24+,25+,27+/m0/s1