Catalog Number:
AG000KH2
Chemical Name:
L-Leucinamide, L-α-aspartyl-L-arginyl-L-leucyl-L-tyrosyl-L-seryl-L-phenylalanylglycyl-
CAS Number:
123374-35-6
Molecular Formula:
C45H68N12O12
Molecular Weight:
969.0946
MDL Number:
MFCD00080034
IUPAC Name:
3-amino-4-[[1-[[1-[[1-[[1-[[1-[[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C45H68N12O12/c1-24(2)17-31(38(47)63)52-36(60)22-51-40(65)33(19-26-9-6-5-7-10-26)55-44(69)35(23-58)57-43(68)34(20-27-12-14-28(59)15-13-27)56-42(67)32(18-25(3)4)54-41(66)30(11-8-16-50-45(48)49)53-39(64)29(46)21-37(61)62/h5-7,9-10,12-15,24-25,29-35,58-59H,8,11,16-23,46H2,1-4H3,(H2,47,63)(H,51,65)(H,52,60)(H,53,64)(H,54,66)(H,55,69)(H,56,67)(H,57,68)(H,61,62)(H4,48,49,50)
InChI Key:
BYSKWCFHMJZUBY-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CC(C)C)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCNC(=N)N)CC(C)C
