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(4-Azido)Phe(3)-Argipressin
[CAS# 97474-07-2]

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CAS#: 97474-07-2
Product: (4-Azido)Phe(3)-Argipressin
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Identification
Name (4-Azido)Phe(3)-Argipressin
Synonyms 3-(4-Azido)phe-argipressin; 3-Phe(p-N3)-avp
Molecular Structure CAS#: 97474-07-2, (4-Azido)Phe(3)-Argipressin
Molecular Formula C46H64N18O12S2
Molecular Weight 1125.24
CAS Registry Number 97474-07-2
SMILES O=C(N)CNC(=O)[C@@H](NC(=O)C4N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC1)Cc2ccc(O)cc2)Cc3ccc(\N=[N+]=[N-])cc3)CCC(=O)N)CC(=O)N)CCC4)CCC/N=C(\N)N
InChI 1S/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30-,31+,32-,33-,34?/m0/s1
InChIKey BQLRGCYAAWQNHV-VNFBOOGPSA-N
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