Analyte Name

Des-Pyr-Leuprolide

CAS Number

1642799-35-6

Molecular Formula

C54 H79 N15 O10

Molecular Weight

1098.3

Accurate Mass

1097.613

SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)Cc5cnc[nH]5

InChI

InChI=1S/C54H79N15O10/c1-6-59-52(78)45-14-10-20-69(45)53(79)39(13-9-19-60-54(56)57)63-47(73)40(21-30(2)3)65-48(74)41(22-31(4)5)66-49(75)42(23-32-15-17-35(71)18-16-32)67-51(77)44(28-70)68-50(76)43(24-33-26-61-38-12-8-7-11-36(33)38)64-46(72)37(55)25-34-27-58-29-62-34/h7-8,11-12,15-18,26-27,29-31,37,39-45,61,70-71H,6,9-10,13-14,19-25,28,55H2,1-5H3,(H,58,62)(H,59,78)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,77)(H,68,76)(H4,56,57,60)/t37-,39-,40-,41+,42-,43-,44-,45-/m0/s1

IUPAC

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-ethylpyrrolidine-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat