(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid
Molecular Formula:
C46H77N9O12
InChI: InChI=1/C46H77N9O12/c1-10-26(7)36(43(63)50-32(23-34(57)58)40(60)51-33(46(66)67)21-24(3)4)53-41(61)31(22-29-17-13-12-14-18-29)49-45(65)38(28(9)56)55-44(64)37(27(8)11-2)54-42(62)35(25(5)6)52-39(59)30(48)19-15-16-20-47/h12-14,17-18,24-28,30-33,35-38,56H,10-11,15-16,19-23,47-48H2,1-9H3,(H,49,65)(H,50,63)(H,51,60)(H,52,59)(H,53,61)(H,54,62)(H,55,64)(H,57,58)(H,66,67)/t26-,27-,28+,30-,31-,32-,33-,35-,36-,37-,38-/m0/s1/f/h49-55,57,66H
InChIKey: InChIKey=UXKDRBZXMHHUTJ-UGXIEJCMDW
SMILES: CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N
Names:
(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid
Registries:
PubChem CID 446729
PubChem ID 11567814
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