(3S)-3-amino-3-[[(1S,2R)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-carboxy-ethyl]carbamoylmethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]propanoic acid
Molecular Formula:
C51H76N12O16S
InChI: InChI=1/C51H76N12O16S/c1-27(2)20-35(48(76)59-33(44(54)72)17-19-80-4)57-39(66)25-55-46(74)36(22-30-13-15-31(65)16-14-30)61-49(77)37(21-29-10-6-5-7-11-29)62-47(75)34(12-8-9-18-52)60-50(78)38(24-42(70)71)58-40(67)26-56-51(79)43(28(3)64)63-45(73)32(53)23-41(68)69/h5-7,10-11,13-16,27-28,32-38,43,64-65H,8-9,12,17-26,52-53H2,1-4H3,(H2,54,72)(H,55,74)(H,56,79)(H,57,66)(H,58,67)(H,59,76)(H,60,78)(H,61,77)(H,62,75)(H,63,73)(H,68,69)(H,70,71)/t28-,32+,33+,34+,35+,36+,37+,38+,43+/m1/s1/f/h55-63,68,70H,54H2
InChIKey: InChIKey=DAASCSHCPGXAAM-LAWNQMNRDW
SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC(=O)O)N
Names:
(3S)-3-amino-3-[[(1S,2R)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-carboxy-ethyl]carbamoylmethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]propanoic acid
Registries:
PubChem CID 132957
PubChem ID 10243243
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