(3S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-[[(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]propanoic acid
Molecular Formula:
C59H87N13O13S
InChI: InChI=1/C59H87N13O13S/c1-35(2)29-44(56(82)66-41(51(63)77)25-28-86-4)65-49(74)34-64-53(79)45(32-39-21-23-40(73)24-22-39)69-57(83)46(30-37-15-7-5-8-16-37)71-55(81)43(20-12-14-27-61)68-59(85)48(33-50(75)76)72-58(84)47(31-38-17-9-6-10-18-38)70-54(80)42(19-11-13-26-60)67-52(78)36(3)62/h5-10,15-18,21-24,35-36,41-48,73H,11-14,19-20,25-34,60-62H2,1-4H3,(H2,63,77)(H,64,79)(H,65,74)(H,66,82)(H,67,78)(H,68,85)(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,75,76)/t36-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1/f/h64-72,75H,63H2
InChIKey: InChIKey=LSFZLJJVGIYLDA-LFJOKYOIDI
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)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(C)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-[[(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]propanoic acid
Registries:
PubChem CID 147048
PubChem ID 10249468
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