(4S)-4-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-5-amino-1-[[(1S)-2-carboxy-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]ethyl]carbamoyl]pentyl]carbamoyl]butanoic acid
Molecular Formula:
C49H79N11O14
InChI: InChI=1/C49H79N11O14/c1-28(2)23-31(52)42(66)57-34(16-9-11-21-51)48(72)60-22-12-17-38(60)47(71)53-27-39(61)54-35(24-29(3)4)45(69)56-33(18-19-40(62)63)44(68)55-32(15-8-10-20-50)43(67)58-36(26-41(64)65)46(70)59-37(49(73)74)25-30-13-6-5-7-14-30/h5-7,13-14,28-29,31-38H,8-12,15-27,50-52H2,1-4H3,(H,53,71)(H,54,61)(H,55,68)(H,56,69)(H,57,66)(H,58,67)(H,59,70)(H,62,63)(H,64,65)(H,73,74)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1/f/h53-59,62,64,73H
InChIKey: InChIKey=ULHGVUJMJWPSHQ-OHMZPRQFDU
SMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)N
Names:
(4S)-4-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-[[(1S)-5-amino-1-[[(1S)-2-carboxy-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]ethyl]carbamoyl]pentyl]carbamoyl]butanoic acid
Registries:
PubChem CID 9919677
PubChem ID 14890129
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|