(4S)-5-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-carboxy-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-4-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid
Molecular Formula:
C47H74N12O15
InChI: InChI=1/C47H74N12O15/c1-24(2)19-32(45(72)57-33(21-38(65)66)44(71)53-26(5)41(68)51-23-36(62)58-39(25(3)4)40(50)67)56-43(70)30(9-6-7-17-48)55-46(73)34-10-8-18-59(34)47(74)31(15-16-37(63)64)54-35(61)22-52-42(69)29(49)20-27-11-13-28(60)14-12-27/h11-14,24-26,29-34,39,60H,6-10,15-23,48-49H2,1-5H3,(H2,50,67)(H,51,68)(H,52,69)(H,53,71)(H,54,61)(H,55,73)(H,56,70)(H,57,72)(H,58,62)(H,63,64)(H,65,66)/t26-,29-,30-,31-,32-,33-,34-,39-/m0/s1/f/h51-58,63,65H,50H2
InChIKey: InChIKey=KBSORCBSCSOBHH-SDYLVQMVDY
SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
Names:
(4S)-5-[(2S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoylmethylcarbamoyl]ethyl]carbamoyl]-2-carboxy-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pyrrolidin-1-yl]-4-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid
Registries:
PubChem CID 164313
PubChem ID 10255427
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|