(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Molecular Formula:
C49H68N8O12
InChI: InChI=1/C49H68N8O12/c1-5-29(4)41(48(67)57-25-11-16-38(57)49(68)69)54-44(63)37-15-10-24-56(37)47(66)34(21-22-39(59)60)51-45(64)40(28(2)3)53-42(61)35(27-30-12-7-6-8-13-30)52-43(62)36-14-9-23-55(36)46(65)33(50)26-31-17-19-32(58)20-18-31/h6-8,12-13,17-20,28-29,33-38,40-41,58H,5,9-11,14-16,21-27,50H2,1-4H3,(H,51,64)(H,52,62)(H,53,61)(H,54,63)(H,59,60)(H,68,69)/t29-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1/f/h51-54,59,68H
InChIKey: InChIKey=GBYIGSOSWSECBF-GRPDKHGCDB
SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2CCCN2C(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)N
Names:
(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Registries:
PubChem CID 125288
PubChem ID 10241305
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