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N-(N-(N-(N-(1-(N-(N-(N-L-Tyrosyl-L-seryl)-L-alpha-aspartyl)-L-seryl)-L-prolyl)-L-seryl)-L-threonyl)-L-seryl)-L-threonine
[CAS# 130007-45-3]

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CAS#: 130007-45-3
Product: N-(N-(N-(N-(1-(N-(N-(N-L-Tyrosyl-L-seryl)-L-alpha-aspartyl)-L-seryl)-L-prolyl)-L-seryl)-L-threonyl)-L-seryl)-L-threonine
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Identification
Name N-(N-(N-(N-(1-(N-(N-(N-L-Tyrosyl-L-seryl)-L-alpha-aspartyl)-L-seryl)-L-prolyl)-L-seryl)-L-threonyl)-L-seryl)-L-threonine
Synonyms (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(Hydroxymethyl)-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-4-[[(1S)-2-[(2S)-2-[[[(1S)-2-[[(1S,2R)-1-[[[(1S)-2-[[(1S,2R)-1-Carboxy-2-Hydroxypropyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Hydroxypropyl]Amino]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-[[(1S)-2-[(2S)-2-[[(1S)-2-[[(1S,2R)-1-[[(1S)-2-[[(1S,2R)-1-Carboxy-2-Hydroxy-Propyl]Amino]-2-Keto-1-Methylol-Ethyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Keto-1-Methylol-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Methylol-Ethyl]Amino]-4-Keto-Butyric Acid
Molecular Structure CAS#: 130007-45-3, N-(N-(N-(N-(1-(N-(N-(N-L-Tyrosyl-L-seryl)-L-alpha-aspartyl)-L-seryl)-L-prolyl)-L-seryl)-L-threonyl)-L-seryl)-L-threonine
Molecular Formula C38H57N9O19
Molecular Weight 943.92
CAS Registry Number 130007-45-3
SMILES [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CO)CC(=O)O)CO)CCC2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CO)[C@H](O)C)CO
InChI 1S/C38H57N9O19/c1-16(52)28(36(63)43-24(14-50)34(61)46-29(17(2)53)38(65)66)45-33(60)23(13-49)42-35(62)26-4-3-9-47(26)37(64)25(15-51)44-31(58)21(11-27(55)56)40-32(59)22(12-48)41-30(57)20(39)10-18-5-7-19(54)8-6-18/h5-8,16-17,20-26,28-29,48-54H,3-4,9-15,39H2,1-2H3,(H,40,59)(H,41,57)(H,42,62)(H,43,63)(H,44,58)(H,45,60)(H,46,61)(H,55,56)(H,65,66)/t16-,17-,20+,21+,22+,23+,24+,25+,26+,28+,29+/m1/s1
InChIKey OSDSURFECJYOEM-BACBJXSSSA-N
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