(2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-( 4-chlorophenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-p referred name)

More details:

• Systematic name

  (2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-( 4-chlorophenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-p referred name)

• SMILES

  C[C@H](C(=O)N(C(=O)[C@@H](Cc1ccc(cc1)Cl)N)C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)N)N(C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(=O)N)N)C(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C

• Std. InChi

  InChI=1S/C70H92ClN17O14/c1-39(2)31-54(83-59(92)50(72)14-8-29-80-70(77)102)61(94)82-53(15-9-28-79-69(75)76)65(98)86-30-10-16-58(86)68(101)87(66(99)55(81-41(4)90)36-44-17-22-46-12-5-6-13-47(46)32-44)40(3)63(96)88(64(97)52(74)33-42-18-23-48(71)24-19-42)67(100)56(35-43-20-25-49(91)26-21-43)84-62(95)57(38-89)85-60(93)51(73)34-45-11-7-27-78-37-45/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38,72-74H2,1-4H3,(H,81,90)(H,82,94)(H,83,92)(H,84,95)(H,85,93)(H4,75,76,79)(H3,77,80,102)/t40-,50-,51-,52-,53+,54+,55-,56+,57+,58+/m1/s1

• Std. InChIKey

  YLUGRSUNOJJSHV-DBPJNJIWSA-N

• Cite this record

  CSID:28475059, http://www.chemspider.com/Chemical-Structure.28475059.html (accessed 18:53, Apr 19, 2024)