N2-[(2R)-4-(Hydroxyamino)-2-(2-naphthalenylmethyl)-1,4-dioxobutyl]-L-arginyl-L-tryptophyl-L-alpha-glutamine

Analyte Name

N2-[(2R)-4-(Hydroxyamino)-2-(2-naphthalenylmethyl)-1,4-dioxobutyl]-L-arginyl-L-tryptophyl-L-alpha-glutamine

CAS Number

1093740-12-5

Molecular Formula

C37 H45 N9 O8

Molecular Weight

743.809

Accurate Mass

743.339

SMILES

NC(=N)NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCC(=O)O)C(=O)N

InChI

InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1

IUPAC

(4S)-5-amino-4-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2R)-4-(hydroxyamino)-2-(naphthalen-2-ylmethyl)-4-oxobutanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat