Chemical Compound

J932.163B

Primary Record

Compound Identifiers & Properties

PubChem CID: 101936569
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)C)NC(=O)C)O)O)O
Canonical SMILES: CC(=O)N[C@H]1[C@H](O[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

J932.163B
Ac-Lys-Pro-Pro-Asn-O-(SLex)-Thr-Thr-Ser-Ala-OH
(2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(1S,2R)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-amino-2-acetamidohexanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propan-2-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Ac-L-Lys-L-Pro-L-Pro-L-Asn-O-[3-O-alpha-L-Fucopyranosyl-4-O-[3-O-(N-acetyl-alpha-neuraminosyl)-beta-D-galactopyranosyl]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-L-Thr-L-Thr-L-Ser-L-Ala-OH
Ac-L-Lys-L-Pro-L-Pro-L-Asn-O-[3-O-alpha-L-Fucosyl-4-O-[3-O-(N-acetyl-alpha-neuraminosyl)-beta-D-galactopyranosyl]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-L-Thr-L-Thr-L-Ser-L-Ala-OH
Ac-Lys-Pro-Pro-Asn-O-[NeuNAcalpha2 3Galbeta1 4(Fucalpha1 3)GlcNAcbeta]-Thr-Thr-Ser-Ala-OH
Ac-Lys-Pro-Pro-Asn-O-[NeuNAcalpha2 3Galbeta1 4(Fucalpha1 3)GlucNAcbeta]-Thr-Thr-Ser-Ala-OH