(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
Molecular Formula:
C55H80N12O13
InChI: InChI=1/C55H80N12O13/c1-33(2)46(53(77)65-42(55(79)80)29-37-21-11-6-12-22-37)66-52(76)41(28-36-19-9-5-10-20-36)64-51(75)40(27-35-17-7-4-8-18-35)61-44(70)30-60-50(74)43(32-68)62-45(71)31-59-49(73)39(24-14-16-26-57)63-54(78)47(34(3)69)67-48(72)38(58)23-13-15-25-56/h4-12,17-22,33-34,38-43,46-47,68-69H,13-16,23-32,56-58H2,1-3H3,(H,59,73)(H,60,74)(H,61,70)(H,62,71)(H,63,78)(H,64,75)(H,65,77)(H,66,76)(H,67,72)(H,79,80)/t34-,38+,39+,40+,41+,42+,43+,46+,47+/m1/s1/f/h59-67,79H
InChIKey: InChIKey=LBWHYNPDTSNGQD-NYILZWOHDZ
SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCCCN)N
Names:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
Registries:
PubChem CID 125759
PubChem ID 10241422
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