(2S)-1-[(10R,13S,16S,19S,22R)-19-benzyl-13-(carbamoylmethyl)-22-[(4-et hoxyphenyl)methyl]-12,15,18,2


CAS No. : 133073-76-4

(2S)-1-[(10R,13S,16S,19S,22R)-19-benzyl-13-(carbamoylmethyl)-22-[(4-et hoxyphenyl)methyl]-12,15,18,2,133073-76-4
Product Details
Cat No:M112155
Molecular Formula:C52H75N13O11S3
Molecular Weight:1154.432
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Cat No:M112155
Cas No:133073-76-4
Product-Name:(2S)-1-[(10R,13S,16S,19S,22R)-19-benzyl-13-(carbamoylmethyl)-22-[(4-et hoxyphenyl)methyl]-12,15,18,2
IUPAC Name:(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-3,7,8-trithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
InChI:InChI=1S/C52H75N13O11S3/c1-4-76-33-16-14-32(15-17-33)25-35-45(70)61-36(24-31-10-6-5-7-11-31)47(72)64-43(30(2)3)49(74)62-37(26-40(53)66)46(71)63-38(29-78-79-52(27-42(68)59-35)18-22-77-23-19-52)50(75)65-21-9-13-39(65)48(73)60-34(12-8-20-57-51(55)56)44(69)58-28-41(54)67/h5-7,10-11,14-17,30,34-39,43H,4,8-9,12-13,18-29H2,1-3H3,(H2,53,66)(H2,54,67)(H,58,69)(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,72)(H4,55,56,57)/t34-,35+,36-,37-,38-,39-,43-/m0/s1
InChIKey:IVFCKZITWJHBQS-DRLAMOGNSA-N
SMILES:CCOC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCSCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5
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