Chemical Compound

NC-100668

NC-100668 chemical structure
Primary Record

NC-100668

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
46175176
SMILES
C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)N)CCC(=O)N)CCC(=O)O)CCC(=O)N)C(C)C)CO)CC2=CC(=C(C=C2)O)I)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCCN(CCNC(/C(=N/O)/C)(C)C)CCNC(/C(=N/O)/C)(C)C)CCCCN)CC(C)C)CC(C)C
Canonical SMILES
CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCN(CCNC(C)(C)/C(C)=N/O)CCNC(C)(C)/C(C)=N/O)[C@@H](C)O)C(C)C

Names & Synonyms

  • NC-100668
  • J2.266.327E
  • (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-[({[2-(1,13-dihydroxy-2,3,3,11,11,12-hexamethyl-1,4,7,10,13-pentaazatrideca-1,12-dien-7-yl)ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-4-[(2S)-4-carbamoyl-2-[(2S)-3-carbamoyl-2-acetamidopropanamido]butanamido]butanoic acid
  • Acetyl-L-Asn-L-Gln-L-Glu-L-Gln-L-Val-L-Ser-L-Pro-3-iodo-L-Tyr-L-Thr-L-Leu-L-Leu-L-Lys-Gly-[2-[bis[2-[[1,1-dimethyl-2-(hydroxyimino)propyl]amino]ethyl]amino]ethyl]-NH2