CAS 1203586-72-4 | CAS Number 1203586-72-4

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1203586-72-4 |

CAS No: 1203586-72-4 Catalog No: AG01FGAP MDL No:

Product Description

Catalog Number:

AG01FGAP

CAS Number:

1203586-72-4

Molecular Formula:

C48H73N13O17S3

Molecular Weight:

1200.3651

IUPAC Name:

(3S,6R,11R,17S,20S,23S,26S,32S,35S)-6-amino-20-(4-aminobutyl)-3-(2-amino-2-oxoethyl)-17-(2-carboxyethyl)-23-[(1R)-1-hydroxyethyl]-26-[(4-hydroxyphenyl)methyl]-32-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34-decaoxo-8,9-dithia-1,4,12,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-11-carboxylic acid

InChI:

InChI=1S/C48H73N13O17S3/c1-24(62)39-46(75)58-28(6-3-4-15-49)43(72)56-29(12-13-38(67)68)41(70)52-21-37(66)55-33(48(77)78)23-81-80-22-27(50)40(69)59-32(19-35(51)64)47(76)61-16-5-7-34(61)45(74)57-30(14-17-79-2)42(71)53-20-36(65)54-31(44(73)60-39)18-25-8-10-26(63)11-9-25/h8-11,24,27-34,39,62-63H,3-7,12-23,49-50H2,1-2H3,(H2,51,64)(H,52,70)(H,53,71)(H,54,65)(H,55,66)(H,56,72)(H,57,74)(H,58,75)(H,59,69)(H,60,73)(H,67,68)(H,77,78)/t24-,27+,28+,29+,30+,31+,32+,33+,34+,39+/m1/s1

InChI Key:

JLBMMJHZUYBFGX-ZHTCEXBHSA-N

SMILES:

NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)O)N)CC(=O)N)Cc1ccc(cc1)O)[C@H](O)C